ChemSpider 2D Image | N-{2-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide | C12H16N6O2S

N-{2-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

  • Molecular FormulaC12H16N6O2S
  • Average mass308.359 Da
  • Monoisotopic mass308.105530 Da
  • ChemSpider ID30747442

More details:

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

5H-Pyrazolo[5,1-b][1,3]oxazine-3-carboxamide, 6,7-dihydro-N-[2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl]- [ACD/Index Name]
N-{2-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide [ACD/IUPAC Name]
N-{2-[(4-Méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthyl}-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide [French] [ACD/IUPAC Name]
1448043-87-5 [RN]
N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 80.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.62
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.63
Polar Surface Area: 112 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 198.1±7.0 cm3

Click to predict properties on the Chemicalize site


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