ChemSpider 2D Image | N-(3-Isobutyl-1H-1,2,4-triazol-5-yl)-4-(2-pyrimidinylamino)benzamide | C17H19N7O

N-(3-Isobutyl-1H-1,2,4-triazol-5-yl)-4-(2-pyrimidinylamino)benzamide

  • Molecular FormulaC17H19N7O
  • Average mass337.379 Da
  • Monoisotopic mass337.165100 Da
  • ChemSpider ID29351205

More details:

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

Benzamide, N-[3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]-4-(2-pyrimidinylamino)- [ACD/Index Name]
N-(3-Isobutyl-1H-1,2,4-triazol-5-yl)-4-(2-pyrimidinylamino)benzamid [German] [ACD/IUPAC Name]
N-(3-Isobutyl-1H-1,2,4-triazol-5-yl)-4-(2-pyrimidinylamino)benzamide [ACD/IUPAC Name]
N-(3-Isobutyl-1H-1,2,4-triazol-5-yl)-4-(2-pyrimidinylamino)benzamide [French] [ACD/IUPAC Name]
1401586-01-3 [RN]
N-(5-Isobutyl-1H-[1,2,4]triazol-3-yl)-4-(pyrimidin-2-ylamino)-benzamide
N-[3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]-4-(pyrimidin-2-ylamino)benzamide
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-4-(pyrimidin-2-ylamino)benzamide

    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: 1.686
    Molar Refractivity: 95.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.87
    ACD/KOC (pH 5.5): 450.66
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 35.96
    ACD/KOC (pH 7.4): 451.80
    Polar Surface Area: 108 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 251.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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