ChemSpider 2D Image | 1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | C6H6N4O2

1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

  • Molecular FormulaC6H6N4O2
  • Average mass166.137 Da
  • Monoisotopic mass166.049072 Da
  • ChemSpider ID20193581

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 1-methyl- [ACD/Index Name]
1-methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4,6(5H)-dione
1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4,6(5H,7H)-dion [German] [ACD/IUPAC Name]
1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [ACD/IUPAC Name]
1-Méthyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [French] [ACD/IUPAC Name]
5401-15-0 [RN]
[5401-15-0] [RN]
1-Methyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione
1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
1-methyl-1h-pyrazolo(3,4-d)pyrimidine-4,6(5h,7h)-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC1395 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.827
    Molar Refractivity: 39.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.83
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.73
    ACD/LogD (pH 7.4): -0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.71
    Polar Surface Area: 76 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 82.9±7.0 dyne/cm
    Molar Volume: 90.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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