ChemSpider 2D Image | 7-Amino-6-(chloroacetyl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one | C9H10ClN5O2

7-Amino-6-(chloroacetyl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID28613067

More details:






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

[1,2,4]Triazolo[1,5-a]pyrimidin-5(4H)-one, 7-amino-6-(2-chloroacetyl)-2-ethyl- [ACD/Index Name]
7-Amino-6-(2-chloroacétyl)-2-éthyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one [French] [ACD/IUPAC Name]
7-Amino-6-(chloracetyl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-on [German] [ACD/IUPAC Name]
7-Amino-6-(chloroacetyl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 60.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.13
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.02
Polar Surface Area: 103 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 145.2±7.0 cm3

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