ChemSpider 2D Image | 2-(1H-1,2,4-Triazol-3-yl)-4-pyrimidinamine | C6H6N6

2-(1H-1,2,4-Triazol-3-yl)-4-pyrimidinamine

  • Molecular FormulaC6H6N6
  • Average mass162.152 Da
  • Monoisotopic mass162.065399 Da
  • ChemSpider ID28174666

More details:

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

1250626-84-6 [RN]
2-(1H-1,2,4-Triazol-3-yl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-3-yl)-4-pyrimidinamine [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-3-yl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-5-yl)pyrimidin-4-amine
4-Pyrimidinamine, 2-(4H-1,2,4-triazol-3-yl)- [ACD/Index Name]
[1250626-84-6] [RN]
2-(2h-[1,2,4]triazol-3-yl)-pyrimidin-4-ylamine
2-(2H-1,2,4Triazol-3-yl)-pyrimidin-4-ylamine
MFCD18914391

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 552.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 322.0±15.1 °C
    Index of Refraction: 1.701
    Molar Refractivity: 41.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.71
    ACD/LogD (pH 5.5): -1.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.81
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.39
    Polar Surface Area: 93 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 100.5±3.0 dyne/cm
    Molar Volume: 108.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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