5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine

• ChemBase ID: 236697
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n12c(nnc1CCCC2)N
• Canonical SMILES: Nc1nnc2n1CCCC2
• InChI: InChI=1S/C6H10N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H2,(H2,7,9)
• InChIKey: NROGKOPHOWHPJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine
• IUPAC Traditional name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine
• Synonyms: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Database IDs

• PubChem SID: 164292607
• PubChem CID: 71683342

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23942965
• LogD (pH = 7.4): -0.23213322
• Log P: -0.23203939
• Molar Refractivity: 40.2364 cm^3
• Polarizability: 13.909231 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 270 - 272°C
• Hydrophobicity(logP): -0.19

Product Information

• Purity: 95%