1-Cyano-2-Methyl-3-{4-[(4S)-4-Methyl-6-Oxo-1,4,5,6-Tetrahydro-3-Pyridazinyl]Phenyl}Guanidine

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Properties Simple | Detailed

Formula C14H16N6O
IUPAC Name 1-cyano-2-methyl-3-[4-[(4s)-4-methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl]phenyl]guanidine
Molecular Mass 284.316 g·mol−1
Heat of Formation 255.5 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 342.57 Å 3
Surface Area 316.18 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-1-[4-[(4s)-6-keto-4-methyl-4,5-dihydro-1h-pyridazin-3-yl]phenyl]-2-methyl-guanidine
  • 3-cyano-2-methyl-1-[4-[(4s)-4-methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl]phenyl]guanidine
  • tocris-1148
InChIKey NUHPODZZKHQQET-VIFPVBQESA-N
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