CAS 1005205-51-5 Methyl [1,2,4]triazolo[1,5-A]pyridine-7-carboxylate (HCID 68664152)

Substructure search Find similar structures

Basic information

CAS: 1005205-51-5
Standard SMILES: COC(=O)c1ccn2ncnc2c1
InChIKey: ODVWJXKVVRMYQJ-UHFFFAOYSA-N
Molecular formula: C8H7N3O2
Average molar mass: 177.16 g/mol
Monoisotopic mass: 177.05382648

Names & identifiers

Preferred name: Methyl [1,2,4]triazolo[1,5-A]pyridine-7-carboxylate
IUPAC: methyl [1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
English name: methyl [1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
Molecular formula: C8H7N3O2
Molecular weight: 177.16

Names & synonyms

1005205-51-5METHYL [1,2,4]TRIAZOLO[1,5-A]PYRIDINE-7-CARBOXYLATEmethyl[1,2,4]triazolo[1,5-a]pyridine-7-carboxylateMFCD11975618SCHEMBL3493025DTXSID90738744ODVWJXKVVRMYQJ-UHFFFAOYSA-NAKOS022177643SB13155SY129661DB-102427CS-0183737

Show more names

[1,2,4]Triazolo[1,5-a]pyridine-7-carboxylic acid methyl ester

F624867

Database identifiers

CAS: 1005205-51-5
PubChem CID: 68664152
DTXSID: DTXSID90738744

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 210

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313