4-[(3-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)methyl]morpholine

• ChemBase ID: 427020
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: n12c(nnc1cccc2C)c1cc(CN2CCOCC2)ccc1
• Canonical SMILES: Cc1cccc2n1c(nn2)c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C18H20N4O/c1-14-4-2-7-17-19-20-18(22(14)17)16-6-3-5-15(12-16)13-21-8-10-23-11-9-21/h2-7,12H,8-11,13H2,1H3
• InChIKey: NRJNQPSBKCXWFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(3-{5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)methyl]morpholine
• Synonyms: 5-methyl-3-[3-(4-morpholinylmethyl)phenyl][1,2,4]triazolo[4,3-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.35950235
• LogD (pH = 7.4): 1.6336445
• Log P: 1.7463256
• Molar Refractivity: 104.0211 cm^3
• Polarizability: 35.13684 Å^3
• Polar Surface Area: 42.66 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: 2.3
• LOG S: -2.41
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3