ChemSpider 2D Image | 3-[(1-Ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-iodo-4(3H)-pyrimidinone | C9H10IN5O

3-[(1-Ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-iodo-4(3H)-pyrimidinone

  • Molecular FormulaC9H10IN5O
  • Average mass331.113 Da
  • Monoisotopic mass330.992981 Da
  • ChemSpider ID49377107

More details:

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

3-[(1-Ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-iod-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-[(1-Ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-iodo-4(3H)-pyrimidinone [ACD/IUPAC Name]
3-[(1-Éthyl-1H-1,2,4-triazol-5-yl)méthyl]-5-iodo-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 3-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-iodo- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 442.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 69.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 38.82
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 38.95
Polar Surface Area: 63 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 170.3±7.0 cm3

Click to predict properties on the Chemicalize site


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