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

5-Iodo-6-propyl-2-(4H-1,2,4-triazol-3-yl)-4(3H)-pyrimidinone

  • Molecular FormulaC9H10IN5O
  • Average mass331.113 Da
  • Monoisotopic mass330.992981 Da
  • ChemSpider ID49358229

More details:

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

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

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 67.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.63
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 158.1±7.0 cm3

Click to predict properties on the Chemicalize site


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