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

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Formula C10H4N6O
IUPAC Name 10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one
Molecular Mass 224.178 g·mol−1
Heat of Formation 1637.6 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 224.17 Å 3
Surface Area 214.18 Å 2
HOMO Energy -10.80 ± 0.55 eV
LUMO Energy -3.25 ± 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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