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

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

  • Molecular FormulaC5H6ClN5
  • Average mass171.588 Da
  • Monoisotopic mass171.031174 Da
  • ChemSpider ID32837454

More details:

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

3H-1,2,3-Triazolo[4,5-d]pyrimidine, 5-chloro-6,7-dihydro-3-methyl- [ACD/Index Name]
5-Chlor-3-methyl-4,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin [German] [ACD/IUPAC Name]
5-Chloro-3-methyl-4,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidine [ACD/IUPAC Name]
5-Chloro-3-méthyl-4,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidine [French] [ACD/IUPAC Name]
1550987-12-6 [RN]
MFCD22548973

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

Density: 1.8±0.1 g/cm3
Boiling Point: 366.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 175.7±30.7 °C
Index of Refraction: 1.824
Molar Refractivity: 41.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.22
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.22
Polar Surface Area: 55 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 94.0±7.0 cm3

Click to predict properties on the Chemicalize site


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