4-(2-(3,4-Dihydro-6,7-Dimethoxy-4-Methyl-3-Oxo-2-Quinoxalinyl)Ethyl)-3H-1,2,4-Triazole-3,5(4H)-Dione

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Properties Simple | Detailed

Formula C15H15N5O5
IUPAC Name 4-[2-(6,7-dimethoxy-4-methyl-3-oxo-quinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione
Molecular Mass 345.310 g·mol−1
Heat of Formation -347.8 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 387.07 Å 3
Surface Area 321.08 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-1,2,4-triazole-3,5(4h)-dione, 4-(2-(3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl)-
  • 4-(2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl)-1,2,4-triazoline-3,5-dione
  • 4-[2-(3-keto-6,7-dimethoxy-4-methyl-quinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-quinone
  • 4-[2-(6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-1,2,4-triazole-3,5-dione
  • 4-[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-1,2,4-triazole-3,5-dione
  • dmeq-tad
CAS Number(s)
  • 132788-52-4
InChIKey NPKSULYVSICWLD-UHFFFAOYSA-N
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