3-[(E)-Benzylideneamino]-2,3-Dihydro-4H-[1,2,3]Triazino[5,4-B]Indol-4-One

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Properties Simple | Detailed

Formula C16H14N5O
IUPAC Name 3-(phenylmethylideneamino)-2h-triazino[5,6-b]indol-4-one
Molecular Mass 292.315 g·mol−1
Heat of Formation 648.1 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 324.0 Å 3
Surface Area 305.41 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dihydro-3-((phenylmethylene)amino)-4h-1,2,3-triazino(5,4-b)indol-4-one
  • 3-(benzylideneamino)-2h-triazino[5,6-b]indol-4-one
  • 3-(phenylmethyleneamino)-2h-triazino[5,6-b]indol-4-one
  • 3-(phenylmethylideneamino)-2h-[1,2,3]triazino[5,6-b]indol-4-one
  • 3-benzylidenamino-5h-1,2,3-triazin(5,4b)indol-4-one
  • 4h-1,2,3-triazino(5,4-b)indol-4-one, 3,5-dihydro-3-((phenylmethylene)amino)-
CAS Number(s)
  • 135086-92-9
InChIKey VNOCJLNCPWWDRY-LICLKQGHSA-N
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