Topiroxostat

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Properties Simple | Detailed

Formula C13H8N6
IUPAC Name 4-[5-(4-pyridyl)-2-aza-1-azonia-4-azanidacyclopenta-2,5-dien-3-yl]pyridine-2-carbonitrile
Molecular Mass 248.243 g·mol−1
Heat of Formation 659.0 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 282.7 Å 3
Surface Area 273.28 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
  • 4-[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile
  • 4-[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]picolinonitrile
  • 4-[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
  • 4-[5-pyridin-4-yl-1h-[1,2,4]triazol-3-yl]-pyridine-2-carbonitrile
  • fyx
InChIKey UBVZQGOVTLIHLH-UHFFFAOYSA-N
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