3-methyl-[1,2,3]triazolo[1,5-a]pyridine

• ChemBase ID: 89001
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n12c(c(nn1)C)cccc2
• Canonical SMILES: Cc1nnn2c1cccc2
• InChI: InChI=1S/C7H7N3/c1-6-7-4-2-3-5-10(7)9-8-6/h2-5H,1H3
• InChIKey: JVJSJMKCXGDLIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-[1,2,3]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 3-methyl-[1,2,3]triazolo[1,5-a]pyridine
• Synonyms: 3-Methyl[1,2,3]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 54856-82-5
• MDL Number: MFCD08062406
• PubChem SID: 162075887
• PubChem CID: 318833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2536738
• LogD (pH = 7.4): 1.2536772
• Log P: 1.2536774
• Molar Refractivity: 48.9264 cm^3
• Polarizability: 14.831427 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful