ChemSpider 2D Image | N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine | C15H12F3N5O

N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine

  • Molecular FormulaC15H12F3N5O
  • Average mass335.284 Da
  • Monoisotopic mass335.099396 Da
  • ChemSpider ID62616791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6E)-N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluormethyl)[1,2,4]triazolo[4,3-b]pyridazin-6(5H)-imin [German] [ACD/IUPAC Name]
(6E)-N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6(5H)-imine [ACD/IUPAC Name]
(6E)-N-[(4S)-3,4-Dihydro-2H-chromén-4-yl]-3-(trifluorométhyl)[1,2,4]triazolo[4,3-b]pyridazin-6(5H)-imine [French] [ACD/IUPAC Name]
1,2,4-Triazolo[4,3-b]pyridazin-6-amine, N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(trifluoromethyl)- [ACD/Index Name]
2H-1-Benzopyran-4-amine, 3,4-dihydro-N-[(6E)-3-(trifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazin-6(5H)-ylidene]-, (4S)- [ACD/Index Name]
N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluormethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amin [German] [ACD/IUPAC Name]
N-[(4S)-3,4-Dihydro-2H-chromen-4-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine [ACD/IUPAC Name]
N-[(4S)-3,4-Dihydro-2H-chromén-4-yl]-3-(trifluorométhyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine [French] [ACD/IUPAC 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: 479.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.7±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 79.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.84
ACD/KOC (pH 5.5): 414.40
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.84
ACD/KOC (pH 7.4): 414.40
Polar Surface Area: 64 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 210.2±7.0 cm3

Click to predict properties on the Chemicalize site


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