3-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-2-ethoxypyridine

• ChemBase ID: 707329
• Molecular Formular: C15H16N4O
• Molecular Mass: 268.31374
• Monoisotopic Mass: 268.13241115
• SMILES: n12c(nc(n1)C)c(cc(c2)c1c(nccc1)OCC)C
• Canonical SMILES: CCOc1ncccc1c1cc(C)c2n(c1)nc(n2)C
• InChI: InChI=1S/C15H16N4O/c1-4-20-15-13(6-5-7-16-15)12-8-10(2)14-17-11(3)18-19(14)9-12/h5-9H,4H2,1-3H3
• InChIKey: KFIIWSURWAHODB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-2-ethoxypyridine
• IUPAC Traditional name: 3-{2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-2-ethoxypyridine
• Synonyms: 6-(2-ethoxypyridin-3-yl)-2,8-dimethyl[1,2,4]triazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.49529
• LogD (pH = 7.4): 3.496843
• Log P: 3.4968631
• Molar Refractivity: 88.9219 cm^3
• Polarizability: 30.342033 Å^3
• Polar Surface Area: 52.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.74
• LOG S: -3.5
• Polar Surface Area: 52.31 Å^2
• Rotatable Bonds: 3