N-{[2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-1-Ethyl-1H-Imidazo[4,5-C]Pyridin-7-Yl]Methyl}-4-Piperidinamine

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Properties Simple | Detailed

Formula C16H22N8O
IUPAC Name 4-[1-ethyl-7-[(4-piperidylamino)methyl]imidazo[4,5-c]pyridin-1-ium-2-yl]-1,2,5-oxadiazol-3-amine
Molecular Mass 342.399 g·mol−1
Heat of Formation 418.3 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 404.01 Å 3
Surface Area 349.4 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(4-aminofurazan-3-yl)-1-ethyl-imidazo[5,4-d]pyridin-7-yl]methyl-(4-piperidyl)amine
  • n-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-imidazo[5,4-d]pyridinyl]methyl]-4-piperidinamine
  • n-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-imidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine
  • n-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine
InChIKey MBCJUIJWPYUEBX-UHFFFAOYSA-N
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