2-methyl-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 292630
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1nn2ccccc2n1
• Canonical SMILES: Cc1nc2n(n1)cccc2
• InChI: InChI=1S/C7H7N3/c1-6-8-7-4-2-3-5-10(7)9-6/h2-5H,1H3
• InChIKey: SWAOUIZDHXCDEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 2-methyl-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 2-Methyl-[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 768-19-4
• PubChem SID: 180678161
• PubChem CID: 583715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7930341
• LogD (pH = 7.4): 1.7937843
• Log P: 1.7937939
• Molar Refractivity: 49.3761 cm^3
• Polarizability: 14.153756 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%