ChemSpider 2D Image | 1-Methyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)-1-piperazinyl]ethyl}-2-imidazolidinone | C13H21N7O2

1-Methyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)-1-piperazinyl]ethyl}-2-imidazolidinone

  • Molecular FormulaC13H21N7O2
  • Average mass307.352 Da
  • Monoisotopic mass307.175659 Da
  • ChemSpider ID58200526

More details:

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

1-Methyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)-1-piperazinyl]ethyl}-2-imidazolidinon [German] [ACD/IUPAC Name]
1-Methyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)-1-piperazinyl]ethyl}-2-imidazolidinone [ACD/IUPAC Name]
1-Méthyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylméthyl)-1-pipérazinyl]éthyl}-2-imidazolidinone [French] [ACD/IUPAC Name]
2-Imidazolidinone, 1-methyl-3-[2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)-1-piperazinyl]ethyl]- [ACD/Index Name]
1-methyl-3-{2-oxo-2-[4-(4H-1,2,4-triazol-3-ylmethyl)piperazin-1-yl]ethyl}imidazolidin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.95
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.38
Polar Surface Area: 89 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site


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