ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(hydroxymethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate | C11H18N4O3

2-Methyl-2-propanyl 3-(hydroxymethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

  • Molecular FormulaC11H18N4O3
  • Average mass254.286 Da
  • Monoisotopic mass254.137894 Da
  • ChemSpider ID28601132

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-carboxylic acid, 5,6-dihydro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1251002-77-3 [RN]
2-Methyl-2-propanyl 3-(hydroxymethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Hydroxymethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid t-butyl ester
3-hydroxymethyl-5,6-dihydro-8h-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid tert-butyl ester
3-Hydroxymethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylicacidtert-butylester
AKOS023096461
AM805519
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 451.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 226.8±31.5 °C
    Index of Refraction: 1.612
    Molar Refractivity: 65.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.89
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.13
    ACD/LogD (pH 7.4): -0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.15
    Polar Surface Area: 80 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 50.5±7.0 dyne/cm
    Molar Volume: 187.5±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement