ChemSpider 2D Image | 2-(1H-1,2,4-Triazol-1-yl)pyrimidine | C6H5N5

2-(1H-1,2,4-Triazol-1-yl)pyrimidine

  • Molecular FormulaC6H5N5
  • Average mass147.137 Da
  • Monoisotopic mass147.054489 Da
  • ChemSpider ID16496540

More details:

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

2-(1H-1,2,4-Triazol-1-yl)pyrimidin [German] [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)pyrimidine [ACD/IUPAC Name]
2-(1H-1,2,4-Triazol-1-yl)pyrimidine [French] [ACD/IUPAC Name]
91159-94-3 [RN]
Pyrimidine, 2-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
MFCD18889889
Pyrimidine, 2-(1H-1,2,4-triazol-1-yl)- (7CI,9CI)
PYRIMIDINE,2-(1H-1,2,4-TRIAZOL-1-YL)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 386.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.4±23.2 °C
Index of Refraction: 1.747
Molar Refractivity: 41.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.32
Polar Surface Area: 56 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 101.6±7.0 cm3

Click to predict properties on the Chemicalize site


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