1-Methyl-3-Phenyl-1,2,4-Triazin-1-Ium-5-Olate

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Properties Simple | Detailed

Formula C10H9N3O
IUPAC Name 1-methyl-3-phenyl-1,2,4-triazin-1-ium-5-olate
Molecular Mass 187.198 g·mol−1
Heat of Formation 218.4 ± 16.7 kJ·mol−1
Dipole Moment 7.05 ± 1.08 D
Volume 219.7 Å 3
Surface Area 216.83 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazinium, 2,5-dihydro-1-methyl-5-oxo-3-phenyl-, hydroxide, inner salt
  • 1-methyl-3-phenyl-1,2,4-triazin-5-one
  • 1-methyl-3-phenyl-1,2-4-triazinium-5-olate
  • mpto
CAS Number(s)
  • 113342-81-7
InChIKey DVDYICDUKVJRHA-UHFFFAOYSA-N
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