ChemSpider 2D Image | 1-Phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carbonitrile | C12H7N5

1-Phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carbonitrile

  • Molecular FormulaC12H7N5
  • Average mass221.217 Da
  • Monoisotopic mass221.070145 Da
  • ChemSpider ID57456571

More details:

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

1H-Pyrazolo[3,4-b]pyrazine-5-carbonitrile, 1-phenyl- [ACD/Index Name]
1-Phenyl-1H-pyrazolo[3,4-b]pyrazin-5-carbonitril [German] [ACD/IUPAC Name]
1-Phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carbonitrile [ACD/IUPAC Name]
1-Phényl-1H-pyrazolo[3,4-b]pyrazine-5-carbonitrile [French] [ACD/IUPAC Name]
87595-30-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 361.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 172.7±27.9 °C
Index of Refraction: 1.739
Molar Refractivity: 65.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.21
ACD/KOC (pH 5.5): 170.55
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.21
ACD/KOC (pH 7.4): 170.55
Polar Surface Area: 67 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


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