6H-Indeno[1,2-E]Tetrazolo[1,5-B][1,2,4]Triazin-6-One

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Properties Simple | Detailed

Formula C10H5N6O+
IUPAC Name 6h-indeno[1,2-e]tetrazolo[1,5-b][1,2,4]triazin-6-one
Molecular Mass 225.186 g·mol−1
Heat of Formation 700.9 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 229.31 Å 3
Surface Area 219.9 Å 2
HOMO Energy -10.66 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 6h-indeno[1,2-e]tetrazolo[1,5-b][1,2,4]triazin-6-one & 10h-indeno[2,1-e]tetrazolo[1,5-b][1,2,4]triazin-10-one
  • pdk1/akt/flt dual pathway inhibitor
InChIKey DPANHMGWPXVBQI-UHFFFAOYSA-N
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