ChemSpider 2D Image | 1,3-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carbonitrile | C8H8N6

1,3-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC8H8N6
  • Average mass188.189 Da
  • Monoisotopic mass188.081039 Da
  • ChemSpider ID31000528

More details:

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

1,3-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1,3-Dimethyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1,3-Diméthyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1272069-02-9 [RN]
1H-Pyrazole-4-carbonitrile, 1,3-dimethyl-5-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
MFCD18879314

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.3±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 52.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.83
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.83
Polar Surface Area: 72 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 135.1±7.0 cm3

Click to predict properties on the Chemicalize site


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