ChemSpider 2D Image | 2-(2-Methyl-2-propanyl)-4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | C10H16N6O

2-(2-Methyl-2-propanyl)-4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC10H16N6O
  • Average mass236.274 Da
  • Monoisotopic mass236.138565 Da
  • ChemSpider ID35177217

More details:

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

2-(2-Methyl-2-propanyl)-4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
2-(2-Methyl-2-propanyl)-4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-(2-Méthyl-2-propanyl)-4-[(1-méthyl-1H-1,2,4-triazol-5-yl)méthyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-(1,1-dimethylethyl)-2,4-dihydro-4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 369.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.1±30.7 °C
Index of Refraction: 1.634
Molar Refractivity: 65.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.07
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.51
Polar Surface Area: 67 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 182.3±7.0 cm3

Click to predict properties on the Chemicalize site


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