[1,2,4]triazolo[4,3-a]pyridin-6-amine

• ChemBase ID: 245977
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n12c(nnc2)ccc(c1)N
• Canonical SMILES: Nc1ccc2n(c1)cnn2
• InChI: InChI=1S/C6H6N4/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H,7H2
• InChIKey: SVVISZMHLQZHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[4,3-a]pyridin-6-amine
• IUPAC Traditional name: [1,2,4]triazolo[4,3-a]pyridin-6-amine
• Synonyms: [1,2,4]triazolo[4,3-a]pyridin-6-amine

Database IDs

• MDL Number: MFCD11597277
• PubChem SID: 164301887
• PubChem CID: 22214792

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0305488
• LogD (pH = 7.4): -1.0298373
• Log P: -1.0298282
• Molar Refractivity: 40.853 cm^3
• Polarizability: 13.552625 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.011

Product Information

• Purity: 95%