ChemSpider 2D Image | 5-Iodo-6-methyl-3-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-4(3H)-pyrimidinone | C9H10IN5O

5-Iodo-6-methyl-3-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-4(3H)-pyrimidinone

  • Molecular FormulaC9H10IN5O
  • Average mass331.113 Da
  • Monoisotopic mass330.992981 Da
  • ChemSpider ID55425093

More details:

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

4(3H)-Pyrimidinone, 5-iodo-6-methyl-3-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]- [ACD/Index Name]
5-Iod-6-methyl-3-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5-Iodo-6-methyl-3-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-4(3H)-pyrimidinone [ACD/IUPAC Name]
5-Iodo-6-méthyl-3-[(1-méthyl-1H-1,2,3-triazol-4-yl)méthyl]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 429.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.5±31.5 °C
Index of Refraction: 1.752
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.23
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.23
Polar Surface Area: 63 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 169.4±7.0 cm3

Click to predict properties on the Chemicalize site


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