ChemSpider 2D Image | (4-Oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile | C7H5N5O

(4-Oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile

  • Molecular FormulaC7H5N5O
  • Average mass175.148 Da
  • Monoisotopic mass175.049408 Da
  • ChemSpider ID30911582

More details:

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

(4-Oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitril [German] [ACD/IUPAC Name]
(4-Oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile [ACD/IUPAC Name]
(4-Oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-3-acetonitrile, 4,5-dihydro-4-oxo- [ACD/Index Name]
1h-pyrazolo[3,4-d]pyrimidine-3-acetonitrile,4,5-dihydro-4-oxo-
38340-29-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 675.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.6±28.7 °C
Index of Refraction: 1.837
Molar Refractivity: 44.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.06
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.87
Polar Surface Area: 94 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 84.9±7.0 dyne/cm
Molar Volume: 101.1±7.0 cm3

Click to predict properties on the Chemicalize site


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