Found 3180 results

Search term: MF = 'C_{12}H_{16}N_{6}O_{2}'
ChemSpider 2D Image | 6,7,8,9-Tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-5H-1,2,4-triazolo[4,3-a]azepine | C12H16N6O2

6,7,8,9-Tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-5H-1,2,4-triazolo[4,3-a]azepine

  • Molecular FormulaC12H16N6O2
  • Average mass276.294 Da
  • Monoisotopic mass276.133484 Da
  • ChemSpider ID28608027

More details:

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

1245772-82-0 [RN]
3-[(3-Methyl-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin [German] [ACD/IUPAC Name]
3-[(3-Methyl-4-nitro-1H-pyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [ACD/IUPAC Name]
3-[(3-Méthyl-4-nitro-1H-pyrazol-1-yl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépine [French] [ACD/IUPAC Name]
5H-1,2,4-Triazolo[4,3-a]azepine, 6,7,8,9-tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]- [ACD/Index Name]
6,7,8,9-Tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-5H-1,2,4-triazolo[4,3-a]azepine
3-((3-Methyl-4-nitro-1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[(3-methyl-4-nitropyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
5H-1,2,4-triazolo[4,3-a]azepine, 6,7,8,9-tetrahydro-3-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]
MFCD16345370 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 517.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 266.6±32.9 °C
    Index of Refraction: 1.739
    Molar Refractivity: 72.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.47
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 12.14
    ACD/KOC (pH 5.5): 207.57
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 12.18
    ACD/KOC (pH 7.4): 208.35
    Polar Surface Area: 94 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 68.2±7.0 dyne/cm
    Molar Volume: 180.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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