Found 193 results

Search term: MF = 'C_{5}H_{6}N_{4}'
ChemSpider 2D Image | 3-(4H-1,2,4-Triazol-4-yl)propanenitrile | C5H6N4

3-(4H-1,2,4-Triazol-4-yl)propanenitrile

  • Molecular FormulaC5H6N4
  • Average mass122.128 Da
  • Monoisotopic mass122.059242 Da
  • ChemSpider ID24194722

More details:

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

173692-85-8 [RN]
3-(4H-1,2,4-Triazol-4-yl)propanenitrile [ACD/IUPAC Name]
3-(4H-1,2,4-Triazol-4-yl)propanenitrile [French] [ACD/IUPAC Name]
3-(4H-1,2,4-Triazol-4-yl)propannitril [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole-4-propanenitrile [ACD/Index Name]
4H-1,2,4-Triazole-4-propanenitrile(9CI)
3-(1,2,4-triazol-4-yl)propanenitrile
4H[1,2,4]TRIAZOLE-4-PROPANENITRILE
4H-1,2,4-Triazole-4-propanenitrile (9CI)
FK-0012
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 333.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 155.3±28.4 °C
Index of Refraction: 1.608
Molar Refractivity: 35.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.92
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.94
Polar Surface Area: 55 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 101.3±7.0 cm3

Click to predict properties on the Chemicalize site


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