3-Methyl-6-[3-(Trifluoromethyl)Phenyl][1,2,4]Triazolo[4,3-B]Pyridazine

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Properties Simple | Detailed

Formula C13H9F3N4
IUPAC Name 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular Mass 278.233 g·mol−1
Heat of Formation -170.0 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 294.56 Å 3
Surface Area 275.99 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)-
  • 3-methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-b)pyridazine
  • 3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine
  • cl 218,872
  • cl 218872
  • cl- 218,872
  • cl-218872
  • pdsp1_000634
  • pdsp1_001766
  • pdsp2_000629
  • pdsp2_001749
  • tocris-1709
CAS Number(s)
  • 66548-69-4
InChIKey GUOQUXNJZHGPQF-UHFFFAOYSA-N
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