ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-{(Z)-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C20H21N9O4

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-{(Z)-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID101078077

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-{(Z)-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]methylen}-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-{(Z)-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]methylene}-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-méthyl-N'-{(Z)-[2-(3-méthylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]méthylène}-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-, 2-[(1Z)-[2,3-dihydro-2-(3-methylbutyl)-1,3-dioxo-1H-isoindol-5-yl]methylene]hydrazide [ACD/Index Name]

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: 1.758
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.48
ACD/KOC (pH 5.5): 66.67
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 66.57
Polar Surface Area: 174 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 282.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement