N-[2-(dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 705904
• Molecular Formular: C15H24N6O
• Molecular Mass: 304.39066
• Monoisotopic Mass: 304.20115942
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NCCn1nc(nc1C)C)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCCn1nc(nc1C)C
• InChI: InChI=1S/C15H24N6O/c1-10(2)14-16-6-8-20(14)11(3)15(22)17-7-9-21-13(5)18-12(4)19-21/h6,8,10-11H,7,9H2,1-5H3,(H,17,22)
• InChIKey: QQCZHYVOCVGSGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-[2-(dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropylimidazol-1-yl)propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.056319
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1271884
• LogD (pH = 7.4): 1.0177907
• Log P: 1.1535314
• Molar Refractivity: 96.0806 cm^3
• Polarizability: 32.07152 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.3
• LOG S: -2.47
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6