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Home/Compounds/CAS 61-82-5
Formula C2H4N4MW 84.08Research-use catalog entryCOA/SDS by request

Amitrole

CAS Number: 61-82-5

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Loading RDKit molecule structure...
InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-NC2H4N4 | MW 84.08

Chemical Absolute Identifiers

CAS Number

61-82-5

PubChem CID

Not available

Molecular Formula

C2H4N4

Molecular Weight

84.08 g/mol

Exact Mass

84.043596

InChIKey

KLSJWNVTNUYHDU-UHFFFAOYSA-N

IUPAC Name

1H-1,2,4-triazol-5-amine

SMILES String

Nc1ncn[nH]1

Physical Properties

Appearance

Amitrole appears as odorless white crystals or white powder. Bitter taste. Melting point 147-159 °C. Sublimes undecomposed at reduced pressure. Used as a post-emergence herbicide.

pKa

1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Amitrole (CAS 61-82-5) is listed in the Advanced Chemicals portfolio, with molecular formula C2H4N4 and molecular weight 84. 08 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Cytochrome P450 3A4 (Homo sapiens) — 4 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 4.8

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Amitrole

Names & Synonyms

3-amino-1,2,4-triazole1H-1,2,4-Triazol-3-amineAminotriazole3-AminotriazoleAmitrol
Show all synonyms
Amizol3-Amino-1H-1,2,4-triazole3-Amino-s-triazoleWeedazolAmerolCytrolCytroleEmisolVoroxAzaplantHerbizoleTriazolamineWeedazinWeedoclor
External Identifiers
EC NUMBER: 200-521-5EC NUMBER: 265-695-7DSSTOX SUBSTANCE ID: DTXSID0020076CHEMBL ID: CHEMBL232801CHEBI ID: CHEBI:40036UNII: ZF80H5GXUFHMDB ID: HMDB0245804ICSC NUMBER: 0631KEGG ID: C11261METABOLOMICS WORKBENCH ID: 52240NCI THESAURUS CODE: C44331WIKIDATA ID: Q423314
Experimental Spectrum References
13C NMR Spectra15N NMR Spectra1H NMR SpectraATR-IR Spectra — Forensic Spectral ResearchFTIR SpectraRaman Spectra — Forensic Spectral ResearchUV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/jm800656vQuantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.PMID 18834112Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.DOI 10.1016/j.bmcl.2007.01.052Discovering new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations.PMID 17291748Discovering new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations.DOI 10.1021/jm9707232Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling.PMID 9767632Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

AmitroleCAS 65380-04-3
1H-1,2,4-Triazol-3-amine hydrochlorideCAS 3714-43-0
1H-1,2,4-Triazole, 3-bromo-CAS 7343-33-1
ethyl 4H-1,2,4-triazole-3-carboxylateCAS 64922-04-9
3-bromo-1H-1,2,4-triazol-5-amineCAS 389122-08-1

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 65380-04-3AmitroleCAS 3714-43-01H-1,2,4-Triazol-3-amine hydrochlorideCAS 7343-33-11H-1,2,4-Triazole, 3-bromo-CAS 111974-69-7QuetiapineCAS 112574-44-4NitrofurazoneCAS 1161-94-0Phenamil MethanesulfonateCAS 22916-47-8MiconazoleCAS 38083-17-9ClimbazoleCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acid

RFQ questions for CAS 61-82-5

What are the key identifiers for Amitrole (CAS 61-82-5)?

Amitrole is identified by CAS 61-82-5, with molecular formula C2H4N4, molecular weight 84.08, InChIKey KLSJWNVTNUYHDU-UHFFFAOYSA-N.

Does CAS 61-82-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 3A4, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 61-82-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Amitrole?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 61-82-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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