ChemSpider 2D Image | 3-methyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C5H5N5O

3-methyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC5H5N5O
  • Average mass151.126 Da
  • Monoisotopic mass151.049408 Da
  • ChemSpider ID23375640

More details:






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

20420-86-4 [RN]
3-Methyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
3-Methyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
3-Méthyl-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
3-Methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-methyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-3-methyl- [ACD/Index Name]
3-methyl-2H-triazolo[4,5-d]pyrimidin-7-one
3-Methyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
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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: 1.873
Molar Refractivity: 37.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.22
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.84
Polar Surface Area: 72 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 85.3±7.0 dyne/cm
Molar Volume: 82.0±7.0 cm3

Click to predict properties on the Chemicalize site






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