ChemSpider 2D Image | 7-Chloro-3-methyl-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine | C5H6ClN5

7-Chloro-3-methyl-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine

  • Molecular FormulaC5H6ClN5
  • Average mass171.588 Da
  • Monoisotopic mass171.031174 Da
  • ChemSpider ID109806192

More details:

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

1H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-2,3-dihydro-3-methyl- [ACD/Index Name]
7-Chlor-3-methyl-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidin [German] [ACD/IUPAC Name]
7-Chloro-3-methyl-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine [ACD/IUPAC Name]
7-Chloro-3-méthyl-2,3-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 301.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 136.3±30.7 °C
Index of Refraction: 1.592
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.39
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.42
Polar Surface Area: 53 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

Click to predict properties on the Chemicalize site


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