<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365244</id>
  <title nil="true"/>
  <common-name>5-(1-methylpiperidin-4-yl)-1h-1,2,4-triazole-3-carboxylic acid</common-name>
  <description>5-(1-methylpiperidin-4-yl)-1h-1,2,4-triazole-3-carboxylic acid is a compound with the formula C9H14N4O2. It has an average molecular weight of 210.23 g/mol.</description>
  <cas>2138235-78-4</cas>
  <pubchem-id>132316046</pubchem-id>
  <chemical-formula>C9H14N4O2</chemical-formula>
  <weight>210.23</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">2026-09-01T15:44:38Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:44:38Z</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>CN1CCC(CC1)C2=NC(=NN2)C(=O)O</moldb-smiles>
  <moldb-formula>C9H14N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O2/c1-13-4-2-6(3-5-13)7-10-8(9(14)15)12-11-7/h6H,2-5H2,1H3,(H,14,15)(H,10,11,12)</moldb-inchi>
  <moldb-inchikey>MUXOCCSRSKGMKZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">210.1116757</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.8</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>CHEM361137</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>5-(1-methylpiperidin-4-yl)-1h-1,2,4-triazole-3-carboxylic acid</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315201</sync-id>
  <structure-inchikey>MUXOCCSRSKGMKZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000020000000000000000000000000000000010000000000000000000000000000000010000000002004000000000000000080000000000000000000000000000000000000000000000020080000000000000000000000000000000008210001000000000000000000000000020100000000000000400000100000000040000000000000200000004000000000002000000000080000080000000000000004000000000000080000000000000000000000008000000000800000000040000000000000000000000000000000000000000000000000000000000000000000000001000000000000000400000000000000000000880000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������@(������@(������@(������@(������@8��������(�������(�������h������������������������������h��	h�	
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	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:22Z</structure-indexed-at>
</compound>
