4-Methyl-2H-[1,2,3]Triazolo[4,5-D]Pyrimidine-5,7(4H,6H)-Dione

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Properties Simple | Detailed

Formula C5H9N5O2
IUPAC Name 4-methyl-2h-triazolo[4,5-e]pyrimidine-5,7-dione
Molecular Mass 171.157 g·mol−1
Heat of Formation -26.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 167.86 Å 3
Surface Area 171.78 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-v-triazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione, 4-methyl-
  • 3-methyl-8-azaxanthin
  • 4-methyl-1h-v-triazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione
  • 4-methyl-2h-[1,2,3]triazolo[4,5-e]pyrimidine-5,7-dione
  • 4-methyl-2h-triazolo[4,5-e]pyrimidine-5,7-quinone
  • 4-methyl-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
CAS Number(s)
  • 2083-04-7
InChIKey OHMNVZBJUPIBGE-UHFFFAOYSA-N
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