<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 15:25:27 UTC</creation_date>
  <update_date>2026-08-25 01:26:20 UTC</update_date>
  <accession/>
  <common_name>1,2,4-Triazolidine-3,5-dione, 4-phenyl-</common_name>
  <class>SmallMolecule</class>
  <description>1,2,4-Triazolidine-3,5-dione, 4-phenyl- is an organic compound with the formula C8H7N3O2 and an average molecular weight of 177.16 g/mol. 1,2,4-Triazolidine-3,5-dione, 4-phenyl- belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has been identified in one recorded source, specifically within household cleaning and consumer products used for tobacco product moisture control.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'15988-11-1</synonym>
    <synonym>1,2, 4-Triazolidine-3,5-dione, 4-phenyl-</synonym>
    <synonym>1,2,4-Triazolidine-3,5-dione, 4-phenyl-</synonym>
    <synonym>163361</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>2758942</synonym>
    <synonym>3,5-Dioxo-4-phenyl-1,2,4-triazolidine</synonym>
    <synonym>4-phenyl-1,2,4-triazolane-3,5-dione</synonym>
    <synonym>4-phenyl-1,2,4-triazolidine-3,5-dione</synonym>
    <synonym>4-Phenyl-1,2,4-triazolidine-3,5-dione 98%</synonym>
    <synonym>4-Phenyl-1,2,4-triazoline-3,5-dione</synonym>
    <synonym>4-phenyl-urazole</synonym>
    <synonym>4-Phenylurazol</synonym>
    <synonym>4-phenylurazole</synonym>
    <synonym>4-Phenylurazole, 3,5-Dioxo-4-phenyl-1,2,4-triazolidine</synonym>
    <synonym>Bicarbamimide, N-phenyl-</synonym>
    <synonym>QA-5735</synonym>
    <synonym>Triazolidinedione Derivative 31</synonym>
    <synonym>Urazole, 4-phenyl-</synonym>
    <synonym>[15988-11-1]</synonym>
  </synonyms>
  <chemical_formula>C8H7N3O2</chemical_formula>
  <average_molecular_weight>177.163</average_molecular_weight>
  <monisotopic_moleculate_weight>177.053826</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>15988-11-1</cas_registry_number>
  <smiles>O=C1NNC(=O)N1C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)</inchi>
  <inchikey>GOSUFRDROXZXLN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>177.163</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>177.053826</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C1NNC(=O)N1C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H7N3O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GOSUFRDROXZXLN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>85229</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>76862</chemspider_id>
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  <general_references/>
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</compound>
