chempirical

4-Phenyl-1,2,4-triazole-3,5-dione

C8H5N3O2CAS 4233-33-4175.15 g/mol

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ONNON
Azo

Properties

Molecular formula
C8H5N3O2
Molar mass
175.15 g/mol
Exact mass
175.0382 Da
Melting point
168–175 °C
logP
2.20Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
4233-33-4
SMILES
O=C1N=NC(=O)N1c1ccccc1
InChIKey
ISULLEUFOQSBGY-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H

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Names and synonyms

23 names · show all
  • 3H-1,2,4-Triazole-3,5(4H)-dione, 4-phenyl-
  • δ1-1,2,4-Triazoline-3,5-dione, 4-phenyl-
  • 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione
  • 4-Phenyl-δ1-1,2,4-triazoline-3,5-dione
  • N-Phenylazodicarboxylic imide
  • N-Phenyltriazolinedione
  • N-Phenyl-1,3,4-triazoline-2,5-dione
  • N-Phenylazodicarboximide
  • 4-Phenyldehydrourazole
  • N-Phenyl-1,2,4-triazoline-3,5-dione
  • 4-Phenyltriazoline-3,5-dione
  • 4-Phenyl-4H-1,2,4-triazoline-3,5-dione
  • N-Phenyltriazoline-3,5-dione
  • 4-Phenyl-1,2,4-triazolinedione
  • PTAD
  • 4-Phenyl-3,5-dioxotriazole
  • 4-Phenyl-1,2,4-triazoline-3,5-dione
  • N-Phenyl-1,3,5-triazoline-2,4-dione
  • Azodicarboxylic acid N-phenylimide
  • 4-Phenyl-4H-[1,2,4]triazole-3,5-dione
  • 4-Phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione
  • NSC 150362
  • 4-Phenyl-3H-1,2,4-triazoline-3,5-dione

Reactions

Work with 4-Phenyl-1,2,4-triazole-3,5-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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