6-Methyltetrazolo(1,5-C)Pyrimidine-5,7(6H,8H)-Dione

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Properties Simple | Detailed

Formula C5H5N5O2
IUPAC Name 3-methyl-3,7,8-triaza-1-azonia-9-azanidabicyclo[4.3.0]nona-1(6),7-diene-2,4-dione
Molecular Mass 167.125 g·mol−1
Heat of Formation 19.7 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 173.2 Å 3
Surface Area 172.51 Å 2
HOMO Energy -11.25 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-methyl-8h-[1,2,3,4]tetrazolo[5,1-f]pyrimidine-5,7-dione
  • 6-methyl-8h-tetrazolo[5,1-f]pyrimidine-5,7-dione
  • 6-methyl-8h-tetrazolo[5,1-f]pyrimidine-5,7-quinone
  • tetrazolo(1,5-c)pyrimidine-5,7(6h,8h)-dione, 6-methyl-
  • tetrazolo(5,4-a)-6-methyluracil
  • vmi 502
  • vmi-502
CAS Number(s)
  • 34635-44-4
InChIKey ROYGNZVFFMFZAC-UHFFFAOYSA-N
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