3-Methyl-7-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazine

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Properties Simple | Detailed

Formula C12H10N4
IUPAC Name 3-methyl-7-phenyl-[1,2,4]triazolo[3,4-f]pyridazine
Molecular Mass 210.235 g·mol−1
Heat of Formation 491.0 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 249.37 Å 3
Surface Area 238.64 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazolo(4,3-b)pyridazine, 3-methyl-7-phenyl-
  • 3-methyl-7-phenyl-1,2,4-triazolo(4,3-b)pyridazine
  • sr 95195
CAS Number(s)
  • 100078-89-5
InChIKey ZFHJWSHCGWBMLE-UHFFFAOYSA-N
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Elements H C N