ChemSpider 2D Image | 3-Isobutyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C10H14N4O

3-Isobutyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC10H14N4O
  • Average mass206.244 Da
  • Monoisotopic mass206.116760 Da
  • ChemSpider ID24598871

More details:

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

1245643-15-5 [RN]
3-Isobutyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
3-isobutyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
3-isobutyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
MFCD12755770

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 434.0±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 216.3±25.4 °C
    Index of Refraction: 1.650
    Molar Refractivity: 56.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.61
    ACD/KOC (pH 5.5): 87.28
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.56
    ACD/KOC (pH 7.4): 86.08
    Polar Surface Area: 59 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 46.3±7.0 dyne/cm
    Molar Volume: 156.2±7.0 cm3

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