5-(2-methylphenyl)-3-(morpholin-4-yl)-1,2,4-triazine

• ChemBase ID: 609216
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: c1(nc(c2c(C)cccc2)cnn1)N1CCOCC1
• Canonical SMILES: Cc1ccccc1c1cnnc(n1)N1CCOCC1
• InChI: InChI=1S/C14H16N4O/c1-11-4-2-3-5-12(11)13-10-15-17-14(16-13)18-6-8-19-9-7-18/h2-5,10H,6-9H2,1H3
• InChIKey: UQYGSCCDKAWCRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylphenyl)-3-(morpholin-4-yl)-1,2,4-triazine
• IUPAC Traditional name: 5-(2-methylphenyl)-3-(morpholin-4-yl)-1,2,4-triazine
• Synonyms: 5-(2-methylphenyl)-3-(4-morpholinyl)-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1847003
• LogD (pH = 7.4): 2.1847908
• Log P: 2.184792
• Molar Refractivity: 75.8401 cm^3
• Polarizability: 28.843977 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -2.08
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2