3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-amine

• ChemBase ID: 288576
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: Cc1nnc2cc(N)ccn12
• Canonical SMILES: Nc1ccn2c(c1)nnc2C
• InChI: InChI=1S/C7H8N4/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,8H2,1H3
• InChIKey: MTVYVVIYPNDPDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
• IUPAC Traditional name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
• Synonyms: 3-Methyl[1,2,4]triazolo[4,3-a]pyridin-7-amine

Database IDs

• CAS Number: 1214900-87-4
• PubChem SID: 180674107
• PubChem CID: 59276628

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.90862674
• LogD (pH = 7.4): -0.906787
• Log P: -0.90676343
• Molar Refractivity: 45.2937 cm^3
• Polarizability: 15.314025 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%