ChemSpider 2D Image | 2-{[(3-Amino-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl carbamate | C7H12N6O3

2-{[(3-Amino-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl carbamate

  • Molecular FormulaC7H12N6O3
  • Average mass228.209 Da
  • Monoisotopic mass228.097092 Da
  • ChemSpider ID45900866

More details:

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

1H-1,2,4-Triazole-1-acetamide, 3-amino-N-[2-[(aminocarbonyl)oxy]ethyl]- [ACD/Index Name]
2-{[(3-Amino-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl carbamate [ACD/IUPAC Name]
2-{[(3-Amino-1H-1,2,4-triazol-1-yl)acetyl]amino}ethylcarbamat [German] [ACD/IUPAC Name]
Carbamate de 2-{[2-(3-amino-1H-1,2,4-triazol-1-yl)acétyl]amino}éthyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 52.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.42
Polar Surface Area: 138 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 80.1±7.0 dyne/cm
Molar Volume: 136.4±7.0 cm3

Click to predict properties on the Chemicalize site


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