4-(6-{[(2S)-1-Hydroxy-3-Methyl-2-Butanyl]Amino}Imidazo[1,2-B]Pyridazin-3-Yl)Benzonitrile

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Properties Simple | Detailed

Formula C18H19N5O
IUPAC Name 4-[6-[[(1s)-1-(hydroxymethyl)-2-methyl-propyl]amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
Molecular Mass 321.376 g·mol−1
Heat of Formation 307.7 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 398.87 Å 3
Surface Area 342.27 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[6-[[(1s)-1-(hydroxymethyl)-2-methyl-propyl]amino]imidazo[2,3-f]pyridazin-3-yl]benzonitrile
  • 4-[6-[[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino]-3-imidazo[2,3-f]pyridazinyl]benzonitrile
  • 4-[6-[[(1s)-2-methyl-1-methylol-propyl]amino]imidazo[2,3-f]pyridazin-3-yl]benzonitrile
  • 4-[6-[[(2s)-1-hydroxy-3-methyl-butan-2-yl]amino]imidazo[2,3-f]pyridazin-3-yl]benzonitrile
  • 4-[6-[[(2s)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[2,3-f]pyridazin-3-yl]benzonitrile
  • k00510
InChIKey CQZVJEKKNHOFNB-OAHLLOKOSA-N
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