5-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1,2,4-triazine

• ChemBase ID: 458447
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: c1(nc(c2ccc(cc2)OC)cnn1)N1CC(CN2CCOCC2)CCC1
• Canonical SMILES: COc1ccc(cc1)c1cnnc(n1)N1CCCC(C1)CN1CCOCC1
• InChI: InChI=1S/C20H27N5O2/c1-26-18-6-4-17(5-7-18)19-13-21-23-20(22-19)25-8-2-3-16(15-25)14-24-9-11-27-12-10-24/h4-7,13,16H,2-3,8-12,14-15H2,1H3
• InChIKey: MMLWAKSKVKRJGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1,2,4-triazine
• IUPAC Traditional name: 5-(4-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1,2,4-triazine
• Synonyms: 5-(4-methoxyphenyl)-3-[3-(4-morpholinylmethyl)-1-piperidinyl]-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.24888396
• LogD (pH = 7.4): 1.7909634
• Log P: 2.0426629
• Molar Refractivity: 107.4324 cm^3
• Polarizability: 41.440853 Å^3
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.64
• LOG S: -2.04
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 4