(5S)-5-(Hydroxymethyl)-2-Methyl-5,8-Dihydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazine-1,3(2H)-Dione

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Formula C8H11N3O3
IUPAC Name (8s)-8-(hydroxymethyl)-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Molecular Mass 197.191 g·mol−1
Heat of Formation -330.6 ± 16.7 kJ·mol−1
Dipole Moment 0.56 ± 1.08 D
Volume 221.19 Å 3
Surface Area 210.41 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (8s)-2-methyl-8-methylol-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-quinone
  • 5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
InChIKey YXLVIORYJGPOCZ-LURJTMIESA-N
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