3-(1H-Imidazol-1-Yl)-5,8-Dimethyl-5H-[1,2,4]Triazino[5,6-B]Indole

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Properties Simple | Detailed

Formula C14H12N6
IUPAC Name 3-(4h-imidazol-3-ium-4-ylium-3-yl)-5,8-dimethyl-[1,2,4]triazino[5,6-b]indole
Molecular Mass 264.285 g·mol−1
Heat of Formation 566.0 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 303.83 Å 3
Surface Area 283.37 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1-imidazolyl)-5,8-dimethyl-[1,2,4]triazino[5,6-b]indole
  • 5h-1,2,4-triazino(5,6-b)indole, 3-(1h-imidazol-1-yl)-5,8-dimethyl-
  • gr 99060
  • gr-99060
CAS Number(s)
  • 149756-68-3
InChIKey PANLHTVVFYWWPL-UHFFFAOYSA-N
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Elements H C N