2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine

• ChemBase ID: 309469
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: c12n(nc(n1)C)cccc2N
• Canonical SMILES: Cc1nn2c(n1)c(N)ccc2
• InChI: InChI=1S/C7H8N4/c1-5-9-7-6(8)3-2-4-11(7)10-5/h2-4H,8H2,1H3
• InChIKey: JNANRNUHYLQPFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• IUPAC Traditional name: 2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• Synonyms: 2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-amine

Database IDs

• CAS Number: 7169-93-9
• MDL Number: MFCD16547421

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0112813
• LogD (pH = 7.4): 1.0130582
• Log P: 1.013081
• Molar Refractivity: 54.0765 cm^3
• Polarizability: 15.302219 Å^3
• Polar Surface Area: 56.21 Å^2