ChemSpider 2D Image | (4-Chloro-2-methyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]methanone | C11H18ClN7O

(4-Chloro-2-methyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]methanone

  • Molecular FormulaC11H18ClN7O
  • Average mass299.760 Da
  • Monoisotopic mass299.126129 Da
  • ChemSpider ID111160931

More details:

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

(4-Chlor-2-methyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(4-Chloro-2-methyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(4-Chloro-2-méthyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (4-chloro-2-methyl-3-pyrazolidinyl)[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 569.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.3±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 80 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 202.5±5.0 cm3

Click to predict properties on the Chemicalize site


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