<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364347</id>
  <title nil="true"/>
  <common-name>3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione</common-name>
  <description>3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is a chemical compound with the formula C8H9N5O2. It has an average molecular weight of 207.19 g/mol.</description>
  <cas>25696-97-3</cas>
  <pubchem-id>161502</pubchem-id>
  <chemical-formula>C8H9N5O2</chemical-formula>
  <weight>207.19</weight>
  <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">2026-09-01T14:18:19Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:18:19Z</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>CC1=NC2=C(N=N1)N(C(=O)N(C2=O)C)C</moldb-smiles>
  <moldb-formula>C8H9N5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H9N5O2/c1-4-9-5-6(11-10-4)12(2)8(15)13(3)7(5)14/h1-3H3</moldb-inchi>
  <moldb-inchikey>IHCRFHCWINOJSU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">207.0756246</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <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>CHEM360240</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione</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>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314343</sync-id>
  <structure-inchikey>IHCRFHCWINOJSU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000020000000000000002000008000000000000200000000000080010000000000080000000000000000000020000000000000000000000000000010000000000000000000000000000000000000040100000000000000000000008000000040000000000000000200004000080000000000000000000000200000000000000000000000008000080000000000000000000000000000001000000000000000000000000000000000000020000000008000002800000000000000000000000000000001000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(������@(������@(������@(�������(������@(������@(�������(�������`�������`�����������h���h���h���h���h���h���h��	(��
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�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:46Z</structure-indexed-at>
</compound>
