Methyl 3-Amino-1H-1,2,4-Triazole-5-Carboxylate

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Properties Simple | Detailed

Formula C4H6N4O2
IUPAC Name methyl 5-amino-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene-3-carboxylate
Molecular Mass 142.116 g·mol−1
Heat of Formation -88.4 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 155.04 Å 3
Surface Area 165.92 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-3-carboxylic acid, 5-amino-, methyl ester
  • 1h-1,2,4-triazole-3-carboxylic acid, 5-amino-, methyl ester (9ci)
  • 5-amino-1h-[1,2,4]-triazole-3-carboxylic acid methyl ester
  • 5-amino-2h-1,2,4-triazole-3-carboxylic acid methyl ester
  • methyl 5-amino-1h-1,2,4-triazole-3-carboxylate
  • methyl 5-amino-2h-1,2,4-triazole-3-carboxylate
  • s-triazole-3-carboxylic acid, 5-amino-, methyl ester
CAS Number(s)
  • 3641-14-3
InChIKey OSZNPKRMPBUQLB-UHFFFAOYSA-N
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