Methyl 5-Methyl-7-Oxo-1,7-Dihydro[1,2,4]Triazolo[1,5-A]Pyrimidine-2-Carboxylate

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Properties Simple | Detailed

Formula C8H8N4O3
IUPAC Name methyl 5-methyl-7-oxo-1h-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Molecular Mass 208.174 g·mol−1
Heat of Formation -132.4 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 224.92 Å 3
Surface Area 225.04 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2,4)triazolo(1,5-a)pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl ester
  • 5-methyl-7-oxo-1h-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
  • 5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
  • 7-keto-5-methyl-1h-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
  • bas 04238268
  • chemdiv1_009053
  • methyl 7-hydroxy-5-methyl-1,2,4-triazolo(1,5-a)pyrimidine-2-carboxylate
  • oprea1_071402
CAS Number(s)
  • 63665-74-7
InChIKey DTIPYFGDNUVQTF-UHFFFAOYSA-N
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