<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">107866</id>
  <title nil="true"/>
  <common-name>Terbumeton-desethyl</common-name>
  <description>Terbumeton-desethyl belongs to the aminotriazines, a subclass of triazines within the organic compounds. Classified as an organoheterocyclic compound, it has the chemical formula C8H15N5O and an average molecular weight of 197.24 g/mol.</description>
  <cas>30125-64-5</cas>
  <pubchem-id>185719</pubchem-id>
  <chemical-formula>C8H15N5O</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T14:22:06Z</created-at>
  <updated-at type="dateTime">2026-04-05T14:22:06Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=NC(NC(C)(C)C)=NC(N)=N1</moldb-smiles>
  <moldb-formula>C8H15N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)</moldb-inchi>
  <moldb-inchikey>HSYISQLUXXBNFW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">197.242</moldb-average-mass>
  <moldb-mono-mass type="decimal">197.1276601</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>161450</chemspider-id>
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  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM103759</chemdb-id>
  <dsstox-id>DTXSID50879248</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00073938</susdat-id>
  <iupac>2-N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Triazines</klass>
  <subklass>Aminotriazines</subklass>
  <paper-count type="integer">4</paper-count>
  <sync-id>CED0044198</sync-id>
  <structure-inchikey>HSYISQLUXXBNFW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000210000000000000000000000000000000000000000000000000000000000002000800140000000000000000000000000000000000000000000000010000000000010000000000104000400000000000000000000000000000040000000000000000000000000000000000000000000000000000040000000000000000000000080001000000000000000008000000000000000000000000000000000080000000100000000004000000000000000000080000000000600000000000008000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000800000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@(�������h�������� ������`�������`�������`������@(������@(�������h�������@(����������� ��h���h��� ����������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:42:33Z</structure-indexed-at>
</compound>
