3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

• ChemBase ID: 292714
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: Cc1nnc2n1cccc2N
• Canonical SMILES: Nc1cccn2c1nnc2C
• InChI: InChI=1S/C7H8N4/c1-5-9-10-7-6(8)3-2-4-11(5)7/h2-4H,8H2,1H3
• InChIKey: BGJXFIHVQNRKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
• IUPAC Traditional name: 3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
• Synonyms: 3-Methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine; 3-methyl[1,2,4]triazolo[4,3-a]pyridin-8-amine

Database IDs

• CAS Number: 31040-12-7
• MDL Number: MFCD11896640
• PubChem SID: 180678245
• PubChem CID: 590474

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.90783805
• LogD (pH = 7.4): -0.906777
• Log P: -0.90676343
• Molar Refractivity: 45.2937 cm^3
• Polarizability: 15.313522 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%