ChemSpider 2D Image | (3,6-~2~H_2_)-1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C5H2D2N4O

(3,6-2H2)-1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC5H2D2N4O
  • Average mass138.124 Da
  • Monoisotopic mass138.051071 Da
  • ChemSpider ID23976142
  • Non-standard isotope - Non-standard isotope


More details:






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

(3,6-2H2)-1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
(3,6-2H2)-1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
(3,6-2H2)-1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one-3,6-d2, 1,7-dihydro- [ACD/Index Name]
(3,6-2H2)-1,2-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
3,6-dideuterio-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
916979-34-5 [RN]
Allopurinol-d2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 463.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.1±26.5 °C
Index of Refraction: 1.903
Molar Refractivity: 33.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.00
Polar Surface Area: 70 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 91.4±7.0 dyne/cm
Molar Volume: 72.0±7.0 cm3

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