ChemSpider 2D Image | N~2~-{[2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethyl]carbamoyl}-L-leucinamide | C12H22N6O2

N2-{[2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethyl]carbamoyl}-L-leucinamide

  • Molecular FormulaC12H22N6O2
  • Average mass282.342 Da
  • Monoisotopic mass282.180420 Da
  • ChemSpider ID57636696
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

N2-{[2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethyl]carbamoyl}-L-leucinamid [German] [ACD/IUPAC Name]
N2-{[2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethyl]carbamoyl}-L-leucinamide [ACD/IUPAC Name]
N2-{[2-(1-Méthyl-1H-1,2,4-triazol-5-yl)éthyl]carbamoyl}-L-leucinamide [French] [ACD/IUPAC Name]
Pentanamide, 4-methyl-2-[[[[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]amino]carbonyl]amino]-, (2S)- [ACD/Index Name]
(2S)-4-methyl-2-[({[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]amino}carbonyl)amino]pentanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.75
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.88
Polar Surface Area: 115 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 215.7±7.0 cm3

Click to predict properties on the Chemicalize site






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