2,5-Dibutyl-4-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-2,4-Dihydro-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C24H29N7O
IUPAC Name 2,5-dibutyl-4-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular Mass 431.533 g·mol−1
Heat of Formation 823.3 ± 16.7 kJ·mol−1
Dipole Moment 17.17 ± 1.08 D
Volume 540.76 Å 3
Surface Area 402.38 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -4.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-dibutyl-2,4-dihydro-4-((2-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4'-yl)methyl)-3h-1,2,4-triazol-3-one
  • 2,5-dibutyl-4-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one
  • 2,5-dibutyl-4-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
  • 3h-1,2,4-triazol-3-one, 2,5-dibutyl-2,4-dihydro-4-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
  • sc 51316
  • sc-51316
CAS Number(s)
  • 133690-62-7
InChIKey STODEQQYGGTXOS-UHFFFAOYSA-N
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