ChemSpider 2D Image | 1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-1,2,4-triazole-3-carbonitrile | C7H6N6O

1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC7H6N6O
  • Average mass190.162 Da
  • Monoisotopic mass190.060303 Da
  • ChemSpider ID37954397

More details:

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

1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-[(5-Méthyl-1,3,4-oxadiazol-2-yl)méthyl]-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 431.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.5±31.5 °C
Index of Refraction: 1.750
Molar Refractivity: 49.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.42
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.42
Polar Surface Area: 93 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 120.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement