4-[(3,5-Diamino-1H-Pyrazol-4-Yl)Hydrazono]-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C9H10N6O
IUPAC Name 4-[(3,5-diamino-1h-pyrazol-4-yl)hydrazono]cyclohexa-2,5-dien-1-one
Molecular Mass 218.215 g·mol−1
Heat of Formation 368.3 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 250.13 Å 3
Surface Area 242.48 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3,5-diamino-1h-pyrazol-4-ylazo)-phenol
  • 4-[(3,5-diamino-1h-pyrazol-4-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one
  • 4-[(3,5-diamino-1h-pyrazol-4-yl)hydrazono]-1-cyclohexa-2,5-dienone
  • 4-[(3,5-diamino-1h-pyrazol-4-yl)hydrazono]cyclohexa-2,5-dien-1-one
  • cdk9 inhibitor ii
  • f18
InChIKey FHZNRKGCGRGLFC-UHFFFAOYSA-N
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