1-(3-Phenyl-1H-1,2,4-Triazol-5-Yl)Urea

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Properties Simple | Detailed

Formula C9H9N5O
IUPAC Name (5-phenyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-3-yl)urea
Molecular Mass 203.201 g·mol−1
Heat of Formation 175.1 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 230.38 Å 3
Surface Area 227.51 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry Cs
Synonyms
  • (5-phenyl-1,2,4-triazol-3-yl)urea
  • (5-phenyl-1h-1,2,4-triazol-3-yl)urea
  • 3-phenyl-5-ureido-1,2,4-triazole
  • n-(3-phenyl-1h-1,2,4-triazol-5-yl)urea
CAS Number(s)
  • 6642-32-6
InChIKey RUQGXFJIPMDCFD-UHFFFAOYSA-N
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