Research chemical
Ethyl 1H-1,2,3-triazole-5-carboxylate
CAS Number: 40594-98-7
Product details
Identity & specification
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13 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
6419107
Exact Mass
141.053826
InChIKey
BMGCDMZWMQQHMI-UHFFFAOYSA-N
IUPAC Name
ethyl 2H-triazole-4-carboxylate
SMILES String
CCOC(=O)c1c[nH]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
10
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
67.87 Ų
Computed LogP
-0.02
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
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
Ethyl 1H-1,2,3-triazole-5-carboxylate (CAS 40594-98-7) is maintained as a commercial cas reference with formula C5H7N3O2, molecular weight 141. 13 g/mol, PubChem CID 6419107.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
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.
Catalog navigation
Related Catalog Entries
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 Ethyl 1H-1,2,3-triazole-5-carboxylate (CAS 40594-98-7)?
Ethyl 1H-1,2,3-triazole-5-carboxylate is identified by CAS 40594-98-7, with molecular formula C5H7N3O2, molecular weight 141.13, InChIKey BMGCDMZWMQQHMI-UHFFFAOYSA-N.
Can I request a COA for CAS 40594-98-7?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Ethyl 1H-1,2,3-triazole-5-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 40594-98-7 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.