ChemSpider 2D Image | 3-(3-Methylphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C11H9N5O

3-(3-Methylphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC11H9N5O
  • Average mass227.222 Da
  • Monoisotopic mass227.080704 Da
  • ChemSpider ID23375881

More details:

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

3-(3-Methylphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
3-(3-Methylphenyl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
3-(3-Méthylphényl)-3,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
3-(3-methylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-3-(3-methylphenyl)- [ACD/Index Name]
1082436-86-9 [RN]
3-(3-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(3-methylphenyl)-6H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(m-tolyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(m-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.770
    Molar Refractivity: 62.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 3.34
    ACD/KOC (pH 5.5): 82.38
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.43
    ACD/KOC (pH 7.4): 59.88
    Polar Surface Area: 72 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 64.6±7.0 dyne/cm
    Molar Volume: 150.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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