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

• ChemBase ID: 236772
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: n12c(nnc1N)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nnc2N
• InChI: InChI=1S/C7H8N4/c1-5-2-3-11-6(4-5)9-10-7(11)8/h2-4H,1H3,(H2,8,10)
• InChIKey: BOMGURPAEXSYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11847743
• PubChem SID: 164292682
• PubChem CID: 253506

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16550957
• LogD (pH = 7.4): 0.16781375
• Log P: 0.16784321
• Molar Refractivity: 45.3675 cm^3
• Polarizability: 15.308724 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 287 - 289°C
• Hydrophobicity(logP): 0.826

Product Information

• Purity: 95%