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

• ChemBase ID: 89002
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n12c(cnn1)cccc2C
• Canonical SMILES: Cc1cccc2n1nnc2
• InChI: InChI=1S/C7H7N3/c1-6-3-2-4-7-5-8-9-10(6)7/h2-5H,1H3
• InChIKey: DTQIMRMEMDXPQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-[1,2,3]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 7-methyl-[1,2,3]triazolo[1,5-a]pyridine
• Synonyms: 7-Methyl[1,2,3]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 78539-91-0
• MDL Number: MFCD08062389
• PubChem SID: 162075888
• PubChem CID: 12752362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3218633
• LogD (pH = 7.4): 1.3218684
• Log P: 1.3218684
• Molar Refractivity: 49.4846 cm^3
• Polarizability: 14.834249 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful