<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364353</id>
  <title nil="true"/>
  <common-name>[[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>90219</pubchem-id>
  <chemical-formula>C8H9N5O4</chemical-formula>
  <weight>239.19</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">2026-09-01T14:18:58Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:18:58Z</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>CN1C(=NN=C1NCO)C2=CC=C(O2)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C8H9N5O4</moldb-formula>
  <moldb-inchi>InChI=1S/C8H9N5O4/c1-12-7(10-11-8(12)9-4-14)5-2-3-6(17-5)13(15)16/h2-3,14H,4H2,1H3,(H,9,11)</moldb-inchi>
  <moldb-inchikey>KLSJGJFSWDJEOE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">239.0654538</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.1</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>CHEM360246</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>[[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol</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>Furans</klass>
  <subklass>Nitrofurans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314348</sync-id>
  <structure-inchikey>KLSJGJFSWDJEOE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000400000000400000000000010020000080100000000000000000000000000000020000000000000000000000000000000000000000000000800000000000000000002208000000000000010000000004000000000400100000002000000000000000000000001000000000000000000000000100000c0000000000000000000004080080000003000008000000000000000000000000000000000000000080000080080000080000000000000000800000000000000000000000800000000000000000000000000022000000200000000000000000000000000000040000000000000204000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(�������h��������`�������`������@(������@h�������@h�������@(������@(������ *��������(������ *���ÿ��������h���h���h���h��� �������	 	
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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:46Z</structure-indexed-at>
</compound>
