69218 <common-name>5-Methyl-1H-4-carboxylic acid</common-name> <description>5-Methyl-1H-4-carboxylic acid belongs to the imidazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C5H6N2O2. The compound has an average molecular weight of 126.11 g/mol.</description> <cas>1457-59-6</cas> <pubchem-id>73825</pubchem-id> <chemical-formula>C5H6N2O2</chemical-formula> <weight>126.11</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">2026-04-03T14:42:21Z</created-at> <updated-at type="dateTime">2026-08-23T00:20:53Z</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=C(N=CN1)C(O)=O</moldb-smiles> <moldb-formula>C5H6N2O2</moldb-formula> <moldb-inchi>InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)</moldb-inchi> <moldb-inchikey>ULHLTDXPKWELHQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">126.115</moldb-average-mass> <moldb-mono-mass type="decimal">126.042927</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66459</chemspider-id> <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>CHEM065111</chemdb-id> <dsstox-id>DTXSID80163142</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024756</susdat-id> <iupac>5-methyl-1H-imidazole-4-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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117614</sync-id> <structure-inchikey>ULHLTDXPKWELHQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000040000002004000000000000000080000000200000000000000000000000000000000000000020000000000800004000000000000000000000030000002000000000000000000000000000000000001000000000000000000040000000000000200000000000000000000000000000000000000000000000000000000000000000080000100000000000080000000000000000000000000000000000000000000000000000000000000400002000000000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(������@(������@h�������@8��������(�������h��������(�����������h���h���h���h��� �� ��(���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:01Z</structure-indexed-at> </compound>