1-Methyl-3-Phenyl-1,6-Dihydro-1,2,4-Triazin-5(2H)-One

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Properties Simple | Detailed

Formula C10H11N3O
IUPAC Name (1r)-1-methyl-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
Molecular Mass 189.214 g·mol−1
Heat of Formation 139.1 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 225.33 Å 3
Surface Area 220.41 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
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  • 1
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  • 5
  • 6
  • a
  • d
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InChIKey FLCOKUAQUUFKPA-UHFFFAOYSA-N
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