1,2,4-Triazole

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Properties Simple | Detailed

Formula C2H3N3
IUPAC Name 4-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 69.065 g·mol−1
Heat of Formation 213.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 80.88 Å 3
Surface Area 96.36 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 4h-1,2,4-triazole
  • 4h-1,2,4-triazole (van)
  • ag-670/31543046
  • s-triazole
  • xz3807000
CAS Number(s)
  • 63598-71-0
  • 288-88-0
  • 116421-29-5
  • 25167-73-1
  • 27236-77-7
  • 288-89-1
InChIKey NSPMIYGKQJPBQR-UHFFFAOYSA-N
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Elements H C N