ChemSpider 2D Image | 5-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-1H-pyrazole-4-carbonitrile | C6H4N6O2

5-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC6H4N6O2
  • Average mass192.135 Da
  • Monoisotopic mass192.039566 Da
  • ChemSpider ID55307965

More details:

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

1H-Pyrazole-4-carbonitrile, 5-(3,5-dioxo-1,2,4-triazolidin-4-yl)- [ACD/Index Name]
5-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-(3,5-Dioxo-1,2,4-triazolidin-4-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 41.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 102.9±5.0 cm3

Click to predict properties on the Chemicalize site


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