3-Ethyl-4-Oxo-3,4-Dihydroimidazo[5,1-D][1,2,3,5]Tetrazine-8-Carboxamide

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Properties Simple | Detailed

Formula C7H8N6O2
IUPAC Name 3-ethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular Mass 208.177 g·mol−1
Heat of Formation 20.9 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 224.21 Å 3
Surface Area 218.09 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3-ethyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 3-ethyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 8-carbamoyl-3-ethylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3h)-one
  • ccrg 82019
  • ethazolastone
  • imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-ethyl-3,4-dihydro-4-oxo-
CAS Number(s)
  • 97716-74-0
InChIKey PGAIUOGGXNCFSR-UHFFFAOYSA-N
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