ChemSpider 2D Image | 5-(3-Nitro-1H-1,2,4-triazol-1-yl)pyrimidine | C6H4N6O2

5-(3-Nitro-1H-1,2,4-triazol-1-yl)pyrimidine

  • Molecular FormulaC6H4N6O2
  • Average mass192.135 Da
  • Monoisotopic mass192.039566 Da
  • ChemSpider ID61165521

More details:

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

5-(3-Nitro-1H-1,2,4-triazol-1-yl)pyrimidin [German] [ACD/IUPAC Name]
5-(3-Nitro-1H-1,2,4-triazol-1-yl)pyrimidine [ACD/IUPAC Name]
5-(3-Nitro-1H-1,2,4-triazol-1-yl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-(3-nitro-1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1935576-51-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 489.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±29.3 °C
Index of Refraction: 1.827
Molar Refractivity: 46.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.06
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.06
Polar Surface Area: 102 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 95.5±7.0 dyne/cm
Molar Volume: 107.2±7.0 cm3

Click to predict properties on the Chemicalize site


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