<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 12:29:40 UTC</creation_date>
  <update_date>2026-08-24 03:28:29 UTC</update_date>
  <accession/>
  <common_name>Ethenoadenine</common_name>
  <class>SmallMolecule</class>
  <description>Ethenoadenine is an organic compound with the formula C7H5N5 and an average molecular weight of 159.15 g/mol. Ethenoadenine belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds.

This compound is identified as being found in or released from eight recorded sources, which include electrical and electronic equipment such as antennas, amplifiers, microphones, auxiliary devices, and communication cables or conductors, as well as three additional sources. In terms of biological interaction, there is one recorded protein target for ethenoadenine, which is Endonuclease III.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C7H5N5</chemical_formula>
  <average_molecular_weight>159.152</average_molecular_weight>
  <monisotopic_moleculate_weight>159.0544952</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>13875-63-3</cas_registry_number>
  <smiles>N1C=NC2=C1C1=NC=CN1C=N2</smiles>
  <inchi>InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)</inchi>
  <inchikey>OGVOXGPIHFKUGM-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>-0.79</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>159.152</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>159.0544952</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>N1C=NC2=C1C1=NC=CN1C=N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H5N5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OGVOXGPIHFKUGM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id>DB01952</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>104994</pubchem_compound_id>
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  <biocyc_id/>
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