ChemSpider 2D Image | 3-(5-Amino-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile | C8H8N6O

3-(5-Amino-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile

  • Molecular FormulaC8H8N6O
  • Average mass204.189 Da
  • Monoisotopic mass204.075958 Da
  • ChemSpider ID32856807

More details:

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

1707405-59-1 [RN]
1H-Pyrazolo[3,4-d]pyrimidine-1-propanenitrile, 5-amino-4,5-dihydro-4-oxo- [ACD/Index Name]
3-(5-Amino-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile [ACD/IUPAC Name]
3-(5-Amino-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile [French] [ACD/IUPAC Name]
3-(5-Amino-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propannitril [German] [ACD/IUPAC Name]
3-(5-Amino-4-oxo-4,5-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl)-propionitrile
3-(5-amino-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile
3-{5-amino-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}propanenitrile
MFCD27981192

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 522.1±56.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±3.0 kJ/mol
    Flash Point: 269.6±31.8 °C
    Index of Refraction: 1.781
    Molar Refractivity: 53.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -2.34
    ACD/LogD (pH 5.5): -1.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.06
    ACD/LogD (pH 7.4): -1.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.06
    Polar Surface Area: 100 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 83.3±7.0 dyne/cm
    Molar Volume: 126.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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