ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-N'-{(Z)-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide | C22H27N9O4

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-N'-{(Z)-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC22H27N9O4
  • Average mass481.508 Da
  • Monoisotopic mass481.218597 Da
  • ChemSpider ID101061238

  • 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-(1-pyrrolidinylmethyl)-N'-{(Z)-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]methylen}-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-N'-{(Z)-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]methylene}-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylméthyl)-N'-{(Z)-[4-(tétrahydro-2H-pyran-2-yloxy)phényl]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-(1-pyrrolidinylmethyl)-, 2-[(1Z)-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]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: 1.744
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 159 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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