(2-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)methanol

• ChemBase ID: 677661
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: n12c(nc(n1)C)c(cc(c2)c1c(CO)cccc1)C
• Canonical SMILES: OCc1ccccc1c1cc(C)c2n(c1)nc(n2)C
• InChI: InChI=1S/C15H15N3O/c1-10-7-13(8-18-15(10)16-11(2)17-18)14-6-4-3-5-12(14)9-19/h3-8,19H,9H2,1-2H3
• InChIKey: VWFCPXOWJHVUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)methanol
• IUPAC Traditional name: (2-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)methanol
• Synonyms: [2-(2,8-dimethyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.134365
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1883326
• LogD (pH = 7.4): 3.1897058
• Log P: 3.1897235
• Molar Refractivity: 86.3694 cm^3
• Polarizability: 29.340565 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.97
• LOG S: -2.73
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 2