({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(1H-1,2,4-triazol-1-yl)propan-2-yl]amine

• ChemBase ID: 776715
• Molecular Formular: C14H18N6
• Molecular Mass: 270.33292
• Monoisotopic Mass: 270.15929461
• SMILES: c12n(c(cn1)CNC(Cn1ncnc1)C)cccc2C
• Canonical SMILES: CC(Cn1cncn1)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C14H18N6/c1-11-4-3-5-20-13(7-17-14(11)20)6-16-12(2)8-19-10-15-9-18-19/h3-5,7,9-10,12,16H,6,8H2,1-2H3
• InChIKey: UIQFCZDNIRPMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(1H-1,2,4-triazol-1-yl)propan-2-yl]amine
• IUPAC Traditional name: ({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)[1-(1,2,4-triazol-1-yl)propan-2-yl]amine
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.295165
• LogD (pH = 7.4): -0.29578683
• Log P: 0.7109571
• Molar Refractivity: 90.6884 cm^3
• Polarizability: 29.378729 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.73
• LOG S: -0.79
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5