[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

• ChemBase ID: 288835
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: O=C(c1cn2c(cc1)ncn2)O
• Canonical SMILES: OC(=O)c1ccc2n(c1)ncn2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-8-4-9-10(6)3-5/h1-4H,(H,11,12)
• InChIKey: YYUHEGMACRELPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• IUPAC Traditional name: [1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
• Synonyms: [1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

Database IDs

• CAS Number: 1043903-19-0
• PubChem SID: 180674366
• PubChem CID: 23438842

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.5360076
• Log P: 0.6471306
• Molar Refractivity: 52.0079 cm^3
• Polarizability: 14.818611 Å^3
• Polar Surface Area: 67.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 3.5792298
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1171502

PROPERTIES

Product Information

• Purity: 95+%