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

• ChemBase ID: 288732
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: Nc1cc2nncn2cc1
• Canonical SMILES: Nc1ccn2c(c1)nnc2
• InChI: InChI=1S/C6H6N4/c7-5-1-2-10-4-8-9-6(10)3-5/h1-4H,7H2
• InChIKey: CZIRYHGCQCRSCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1082448-58-5
• PubChem SID: 180674263
• PubChem CID: 57345846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0303587
• LogD (pH = 7.4): -1.0298349
• Log P: -1.0298282
• Molar Refractivity: 40.853 cm^3
• Polarizability: 13.556897 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%