3-methyl-[1,2,4]triazolo[4,3-a]pyridine

• ChemBase ID: 291866
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1nnc2ccccn12
• Canonical SMILES: Cc1nnc2n1cccc2
• InChI: InChI=1S/C7H7N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2-5H,1H3
• InChIKey: XKXVBWLYSGMTCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridine
• IUPAC Traditional name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridine
• Synonyms: 3-Methyl-[1,2,4]triazolo[4,3-a]pyridine

Database IDs

• CAS Number: 1004-65-5
• MDL Number: MFCD00498952
• PubChem SID: 180677397
• PubChem CID: 249771

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.07953801
• LogD (pH = 7.4): -0.077858955
• Log P: -0.077837504
• Molar Refractivity: 40.5933 cm^3
• Polarizability: 14.165933 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%