<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:00:38 UTC</creation_date>
  <update_date>2026-08-22 18:34:31 UTC</update_date>
  <accession/>
  <common_name>6-Methyl-1,3,5-triazine-2,4-diyldiamine</common_name>
  <class>SmallMolecule</class>
  <description>6-Methyl-1,3,5-triazine-2,4-diyldiamine is an organic compound with the formula C4H7N5 and an average molecular weight of 125.13 g/mol. 6-Methyl-1,3,5-triazine-2,4-diyldiamine belongs to the aminotriazines, a subclass of triazines within the organic compounds.

This compound has been identified in or released from 35 recorded sources. Within the sector of electrical and electronic equipment, it is found in antennas, auxiliary devices, coils, conductors or conductive bodies characterised by the conductive materials, cores yokes or armatures, and six additional sources. It is present in drinking water and water supply, including bottled water, tap water, desalinated water, and drinking water. It is also detected in aquatic systems and sediments, specifically in freshwater, seawater, groundwater, and surface water. In the area of wastewater, sanitation and biosolids, the compound is found in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater.

Furthermore, 6-Methyl-1,3,5-triazine-2,4-diyldiamine is associated with household cleaning and consumer products, such as soap detergents, bleaching agents, and perfumes within detergents and soaps. It is also found in appliances, HVAC and refrigerants, specifically in water heaters and water coolers, as well as five additional sectors. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>6-Methyl-1,3,5-triazine-2,4-diamine</synonym>
  </synonyms>
  <chemical_formula>C4H7N5</chemical_formula>
  <average_molecular_weight>125.1319</average_molecular_weight>
  <monisotopic_moleculate_weight>125.070145249</monisotopic_moleculate_weight>
  <iupac_name>6-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-diimine</iupac_name>
  <traditional_iupac>acetoguanamine</traditional_iupac>
  <cas_registry_number>542-02-9</cas_registry_number>
  <smiles>CC1=NC(=N)NC(=N)N1</smiles>
  <inchi>InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)</inchi>
  <inchikey>NJYZCEFQAIUHSD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Triazines</class>
    <sub_class>Aminotriazines</sub_class>
    <direct_parent>1,3,5-triazine-2,4-diamines</direct_parent>
    <alternate_parents>
      <alternative_parent>1,3,5-triazines</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,3,5-triazine</substituent>
      <substituent>2,4-diamine-s-triazine</substituent>
      <substituent>Amine</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>diamino-1,3,5-triazine</descriptor>
    </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>-0.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.31</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.28</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.55e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-1.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.85</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>16.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>6-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-diimine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>125.1319</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>125.070145249</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=NC(=N)NC(=N)N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H7N5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NJYZCEFQAIUHSD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>84.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>53.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>12.02</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224788ac8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10949</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>10485</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
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</compound>
