ChemSpider 2D Image | 4-(2-Pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamide | C17H19N7O

4-(2-Pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamide

  • Molecular FormulaC17H19N7O
  • Average mass337.379 Da
  • Monoisotopic mass337.165100 Da
  • ChemSpider ID29345383

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(2-Pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamid [German] [ACD/IUPAC Name]
4-(2-Pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamide [ACD/IUPAC Name]
4-(2-Pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylméthyl)phényl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-(2-pyrimidinylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]- [ACD/Index Name]
1401541-41-0 [RN]
4-(Pyrimidin-2-ylamino)-N-(4-[1,2,4]triazol-1-ylmethyl-phenyl)-butyramide
4-(pyrimidin-2-ylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
4-(pyrimidin-2-ylamino)-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.673
    Molar Refractivity: 96.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.13
    ACD/KOC (pH 5.5): 95.44
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 4.21
    ACD/KOC (pH 7.4): 97.32
    Polar Surface Area: 98 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 56.5±7.0 dyne/cm
    Molar Volume: 257.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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