4-{2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]ethyl}morpholine

• ChemBase ID: 506441
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: n1nn(cc1c1cnc(cc1)OC)CCN1CCOCC1
• Canonical SMILES: COc1ccc(cn1)c1nnn(c1)CCN1CCOCC1
• InChI: InChI=1S/C14H19N5O2/c1-20-14-3-2-12(10-15-14)13-11-19(17-16-13)5-4-18-6-8-21-9-7-18/h2-3,10-11H,4-9H2,1H3
• InChIKey: OZPCHARVMFSTQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[4-(6-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 89.796 cm^3
• Polarizability: 31.29773 Å^3
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.35903224
• LogD (pH = 7.4): 0.94867647
• Log P: 1.0725636

供应商提供(Chembridge)

• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 0
• Log P: 0.34
• LOG S: -1.9