<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">93232</id>
  <title nil="true"/>
  <common-name>3-(1H-imidazol-1-yl)propane-1,2-diol</common-name>
  <description>3-(1H-imidazol-1-yl)propane-1,2-diol belongs to the imidazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C6H10N2O2 and an average molecular weight of 142.16 g/mol.</description>
  <cas>34793-28-7</cas>
  <pubchem-id>3015713</pubchem-id>
  <chemical-formula>C6H10N2O2</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">2026-04-05T02:01:13Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:01:13Z</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>OCC(O)CN1C=CN=C1</moldb-smiles>
  <moldb-formula>C6H10N2O2</moldb-formula>
  <moldb-inchi>InChI=1/C6H10N2O2/c9-4-6(10)3-8-2-1-7-5-8/h1-2,5-6,9-10H,3-4H2</moldb-inchi>
  <moldb-inchikey>RHLDLEHHTWLRFG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">142.158</moldb-average-mass>
  <moldb-mono-mass type="decimal">142.0742276</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM089125</chemdb-id>
  <dsstox-id>DTXSID20956277</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00054772</susdat-id>
  <iupac nil="true"/>
  <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>Azoles</klass>
  <subklass>Imidazoles</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0051209</sync-id>
  <structure-inchikey>RHLDLEHHTWLRFG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000000002100000000000000000000000000000000000002000000000000000000000000020020000000000000000000000000000000000000000001000000000000000000000000000000000010000000010000000000000000000000900000000000000000000000000000000000000080400000000000000000000000000000000000000000000000000000000000000000004000000000000000000000100000000400000000000000000000000001000000000000200000000000000000000000000000000000000000000000000002040000000000020000000000000400000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>202000000000000002000001000080404000000200040000001044000200000800000000001000480000004200000000c00010000443000a0000080110000001000000000000000620000000000104021000200000420000001000c200402000002002040001050200000200080300100200411180820001000024048000004400000080000000c080000100400024400000000000800000000240043000000004000000008000024201002c00000000008000800000000000200000010040400020000800000000000000000000000004020000000040800000000000800000802000000001080000004000000100040800c0000010070000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T04:35:02Z</structure-indexed-at>
</compound>
