99471 <common-name>1-Ethyl-1,2-dihydro-5H-tetrazol-5-one</common-name> <description>1-Ethyl-1,2-dihydro-5H-tetrazol-5-one belongs to the tetrazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C3H6N4O and an average molecular weight of 114.11 g/mol.</description> <cas>69048-98-2</cas> <pubchem-id>135472943</pubchem-id> <chemical-formula>C3H6N4O</chemical-formula> <weight>114.11</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">2026-04-05T06:52:45Z</created-at> <updated-at type="dateTime">2026-08-22T13:25:54Z</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>CCN1NN=NC1=O</moldb-smiles> <moldb-formula>C3H6N4O</moldb-formula> <moldb-inchi>InChI=1/C3H6N4O/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)</moldb-inchi> <moldb-inchikey>YVVZUMUVGRLSRZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">114.108</moldb-average-mass> <moldb-mono-mass type="decimal">114.0541608</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM095364</chemdb-id> <dsstox-id>DTXSID40219114</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062311</susdat-id> <iupac>4-ethyl-1H-tetrazol-5-one</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>Tetrazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0139132</sync-id> <structure-inchikey>YVVZUMUVGRLSRZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800000000000000000000000200001000000000000000000000003000020000000000000102000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000800000000000000000000000080000000000000000000100000000000000000000000000000040000000000000200000000000080000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000010200000000000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>80004000000000000402000000000000014000000240040010000044000200004800000000001001080001004200010008c00010000442000a0000080110009001000000000000000620010000000004021002200000020000008040c200000000000002000000050000000300080310102000615180820001000020040000044800000080000000808000010060202440000000000080000000004004300000000410000000800002c001002c0004000000800080020000000000000400002040000100080000000010000000001020000402000100004080000000004000000080000000000000000000000000100004400080004000250000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@8�������@(������@(������@(�������(��������������h���h���h���h���(���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:45Z</structure-indexed-at> </compound>