ChemSpider 2D Image | N~3~-2-Pyrimidinyl-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]-beta-alaninamide | C15H15N7O

N3-2-Pyrimidinyl-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]-β-alaninamide

  • Molecular FormulaC15H15N7O
  • Average mass309.326 Da
  • Monoisotopic mass309.133820 Da
  • ChemSpider ID29349665

More details:

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

N3-2-Pyrimidinyl-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]-β-alaninamid [German] [ACD/IUPAC Name]
N3-2-Pyrimidinyl-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]-β-alaninamide [ACD/IUPAC Name]
N3-2-Pyrimidinyl-N-[3-(1H-1,2,4-triazol-3-yl)phényl]-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-(2-pyrimidinylamino)-N-[3-(4H-1,2,4-triazol-3-yl)phenyl]- [ACD/Index Name]
1435997-78-6 [RN]
3-(pyrimidin-2-ylamino)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
N3-pyrimidin-2-yl-N-[3-(4H-1,2,4-triazol-3-yl)phenyl]-β-alaninamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.710
    Molar Refractivity: 85.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.94
    ACD/KOC (pH 5.5): 55.62
    ACD/LogD (pH 7.4): 0.68
    ACD/BCF (pH 7.4): 1.95
    ACD/KOC (pH 7.4): 55.93
    Polar Surface Area: 108 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 79.3±3.0 dyne/cm
    Molar Volume: 219.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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