ChemSpider 2D Image | 4-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol | C8H8N4O2

4-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol

  • Molecular FormulaC8H8N4O2
  • Average mass192.175 Da
  • Monoisotopic mass192.064728 Da
  • ChemSpider ID28943572

More details:

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

4-(3-Amino-1H-1,2,4-triazol-5-yl)-1,3-benzènediol [French] [ACD/IUPAC Name]
4-(3-Amino-1H-1,2,4-triazol-5-yl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
1,3-Benzenediol, 4-(3-amino-1H-1,2,4-triazol-5-yl)- [ACD/Index Name]
1374408-48-6 [RN]
4-(3-Amino-1H-1,2,4-triazol-5-yl)-1,3-benzenediol [ACD/IUPAC Name]
4-(3-amino-1H-1,2,4-triazol-5-yl)benzene-1,3-diol
4-(5-amino-1H-1,2,4-triazol-3-yl)benzene-1,3-diol
MFCD00465599 [MDL number]
VS-08898

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 574.7±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.3±3.0 kJ/mol
    Flash Point: 301.4±28.2 °C
    Index of Refraction: 1.773
    Molar Refractivity: 49.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 0.54
    ACD/BCF (pH 5.5): 1.50
    ACD/KOC (pH 5.5): 46.28
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.07
    ACD/KOC (pH 7.4): 33.06
    Polar Surface Area: 108 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 110.2±3.0 dyne/cm
    Molar Volume: 118.6±3.0 cm3

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