Research chemical

3(2H)-Pyridazinone, 6-(1H-indol-1-yl)-

CAS Number: 109890-29-1

Product details

Identity & specification

Molecular formula: C12H9N3O
Molecular weight: 211.22 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

13887384

Exact Mass

211.074562

InChIKey

XUMDZDHLUHCECA-UHFFFAOYSA-N

IUPAC Name

3-indol-1-yl-1H-pyridazin-6-one

SMILES String

Oc1ccc(-n2ccc3ccccc32)nn1

Physical Properties

No physical property values available.

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

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

50.94 Å²

Computed LogP

2.13

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

3(2H)-Pyridazinone, 6-(1H-indol-1-yl)- (CAS 109890-29-1) is maintained as a cataloged research chemical with formula C12H9N3O, molecular weight 211. 22 g/mol, PubChem CID 13887384.

Sourcing context

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

Research use context

Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.

Applications & Classification

Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building BlocksResearch 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: cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

cGMP-dependent 3',5'-cyclic phosphodiesterase

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

Synonyms & references

Names & Synonyms

6-(1H-indol-1-yl)pyridazin-3-ol6-(1H-Indol-1-yl)pyridazin-3(2H)-one

External Identifiers

CHEMBL ID: CHEMBL61690

Literature & Patent References

DOI 10.1021/jm00394a005Cardiotonic agents. 7. Inhibition of separated forms of cyclic nucleotide phosphodiesterase from guinea pig cardiac muscle by 4,5-dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones and related compounds. Structure-activity relationships and correlation with in vivo positive inotropic activity.PMID 2822926Cardiotonic agents. 7. Inhibition of separated forms of cyclic nucleotide phosphodiesterase from guinea pig cardiac muscle by 4,5-dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3(2H)-pyridazinones and related compounds. Structure-activity relationships and correlation with in vivo positive inotropic activity.

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

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

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

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

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for 3(2H)-Pyridazinone, 6-(1H-indol-1-yl)- (CAS 109890-29-1)?

3(2H)-Pyridazinone, 6-(1H-indol-1-yl)- is identified by CAS 109890-29-1, with molecular formula C12H9N3O, molecular weight 211.22, InChIKey XUMDZDHLUHCECA-UHFFFAOYSA-N.

Does CAS 109890-29-1 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with cGMP-dependent 3',5'-cyclic phosphodiesterase. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 109890-29-1?

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

Can I request supplier SDS for 3(2H)-Pyridazinone, 6-(1H-indol-1-yl)-?

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

Is CAS 109890-29-1 available for quotation?

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

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.