ChemSpider 2D Image | Ethyl 7-imino-2-(methoxymethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C10H13N5O3

Ethyl 7-imino-2-(methoxymethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC10H13N5O3
  • Average mass251.242 Da
  • Monoisotopic mass251.101837 Da
  • ChemSpider ID29348932

More details:






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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-7-imino-2-(methoxymethyl)-, ethyl ester [ACD/Index Name]
7-Imino-2-(méthoxyméthyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-imino-2-(methoxymethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-7-imino-2-(methoxymethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
C10H13N5O3
ethyl 7-imino-2-(methoxymethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 488.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.40
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.62
Polar Surface Area: 102 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 166.9±7.0 cm3

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