<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:54:16 UTC</creation_date>
  <update_date>2026-08-19 18:17:35 UTC</update_date>
  <accession/>
  <common_name>3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-n'-(pyrazin-2-yl)prop-2-enehydrazide</common_name>
  <class>SmallMolecule</class>
  <description>3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-n'-(pyrazin-2-yl)prop-2-enehydrazide belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C17H10F6N6O and an average molecular weight of 443.31 g/mol.

In terms of biological activity, it is recorded as an inhibitor of the protein target Exportin-1 (XPO1). The compound is found in or released from five recorded sources, including healthcare, pharmaceuticals, and veterinary products specifically as antineoplastic agents. Other identified sources include building and construction materials such as floors, food, food processing and cookware specifically molasses and the treatment of molasses, and electrical and electronic equipment including antennas and relays. The recorded route of exposure for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C17H10F6N6O</chemical_formula>
  <average_molecular_weight>443.313</average_molecular_weight>
  <monisotopic_moleculate_weight>428.0820283</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1393477-72-9</cas_registry_number>
  <smiles>FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F</smiles>
  <inchi>InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-</inchi>
  <inchikey>DEVSOMFAQLZNKR-RJRFIUFISA-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>
    <pathway>
      <name>Selinexor Drug Metabolism</name>
      <smpdb_id>SMP0130780</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Selinexor Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144804</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.07</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>443.313</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>428.0820283</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H10F6N6O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DEVSOMFAQLZNKR-RJRFIUFISA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbf983df0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11942</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>71481097</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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      <target_id>BE0009694</target_id>
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</compound>
