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

• ChemBase ID: 309483
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: c12n(cnn1)cccc2N
• Canonical SMILES: Nc1cccn2c1nnc2
• InChI: InChI=1S/C6H6N4/c7-5-2-1-3-10-4-8-9-6(5)10/h1-4H,7H2
• InChIKey: VIEMYQNTSLRXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 31040-11-6
• MDL Number: MFCD17078890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0301069
• LogD (pH = 7.4): -1.0298316
• Log P: -1.0298282
• Molar Refractivity: 40.853 cm^3
• Polarizability: 13.556335 Å^3
• Polar Surface Area: 56.21 Å^2