[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine

• ChemBase ID: 691512
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: c1(ncnn1CC)CN(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: CCn1ncnc1CN(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C15H23N5/c1-5-20-15(17-11-18-20)10-19(4)13(3)9-14-8-12(2)6-7-16-14/h6-8,11,13H,5,9-10H2,1-4H3
• InChIKey: UXPZBUTWNQRGJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-1,2,4-triazol-5-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: [(2-ethyl-1,2,4-triazol-3-yl)methyl](methyl)[1-(4-methylpyridin-2-yl)propan-2-yl]amine
• Synonyms: N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-(4-methylpyridin-2-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36455137
• LogD (pH = 7.4): 1.7146475
• Log P: 1.8412391
• Molar Refractivity: 92.8467 cm^3
• Polarizability: 30.970356 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.51
• LOG S: -0.18
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6