<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 05:12:01 UTC</creation_date>
  <update_date>2026-08-19 18:17:24 UTC</update_date>
  <accession/>
  <common_name>Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[2-(4-chloro-2-nitrophenyl)diazenyl]-2-methyl-</common_name>
  <class>SmallMolecule</class>
  <description>Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[2-(4-chloro-2-nitrophenyl)diazenyl]-2-methyl- is an organoheterocyclic compound with the chemical formula C17H12ClN6O3 and an average molecular weight of 382.76 g/mol. Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[2-(4-chloro-2-nitrophenyl)diazenyl]-2-methyl- belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This substance has been recorded as being found in or released from drinking water and water supply. The recorded route of exposure for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H12ClN6O3</chemical_formula>
  <average_molecular_weight>382.76</average_molecular_weight>
  <monisotopic_moleculate_weight>383.0659409</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>74336-59-7</cas_registry_number>
  <smiles/>
  <inchi>InChI=1/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3</inchi>
  <inchikey>XJYVVHWZCYUMQY-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>3.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>382.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>383.0659409</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H12ClN6O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XJYVVHWZCYUMQY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c70e618&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>166442</pubchem_compound_id>
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  <wikipidia/>
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</compound>
