ChemSpider 2D Image | 7-(1,1-Dimethylethyl) 5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate | C11H16N4O4

7-(1,1-Dimethylethyl) 5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate

  • Molecular FormulaC11H16N4O4
  • Average mass268.269 Da
  • Monoisotopic mass268.117157 Da
  • ChemSpider ID21402896

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

1,2,4-Triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylic acid, 5,6-dihydro-, 7-(1,1-dimethylethyl) ester [ACD/Index Name]
1053656-19-1 [RN]
7-(1,1-Dimethylethyl) 5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate
7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
7-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylicacid
7-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylique [French] [ACD/IUPAC Name]
[1053656-19-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 493.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 252.5±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 66.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.61
    ACD/LogD (pH 5.5): -1.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 56.0±7.0 dyne/cm
    Molar Volume: 184.8±7.0 cm3

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