124246 <common-name>1-Butanone, 3-methyl-1-pyrazinyl-</common-name> <description>1-Butanone, 3-methyl-1-pyrazinyl- belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C9H12N2O and an average molecular weight of 164.21 g/mol.</description> <cas>86461-64-5</cas> <pubchem-id>556692</pubchem-id> <chemical-formula>C9H12N2O</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">2026-04-06T08:00:51Z</created-at> <updated-at type="dateTime">2026-04-06T08:00:51Z</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>CC(C)CC(=O)C1=NC=CN=C1</moldb-smiles> <moldb-formula>C9H12N2O</moldb-formula> <moldb-inchi>InChI=1S/C9H12N2O/c1-7(2)5-9(12)8-6-10-3-4-11-8/h3-4,6-7H,5H2,1-2H3</moldb-inchi> <moldb-inchikey>HRVZGJWXBPJXKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.208</moldb-average-mass> <moldb-mono-mass type="decimal">164.094963</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>483949</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>CHEM120139</chemdb-id> <dsstox-id>DTXSID50339514</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00113798</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0112308</sync-id> <structure-inchikey>HRVZGJWXBPJXKU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000001000000000000000000000000000000000000000001000000000000000000000002000000000000000000000000000000000000000000080000000000000000000000020000000000000000000000000000000000000010000000000010000000000000000000000000000000000000000000000000040010000000000000400000000000000000000000000000000000000002000000000000000000000080000000000000000080000000000000200000100000000000020001000000000000000000000040000000000000000000000008000000100000100002040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQHQCgA AAADAwZAaAAAAAMDAQZAaAAAAAMDAQdAKAAAAAMDBkBoAAAAAwMBCwABAAEC AAEDAAMEAAQFKAIEBiAGB2gMBwhoDAgJaAwJCmgMCgtoDAsGaAxCAQAAAAYG CwoJCAcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:47:14Z</structure-indexed-at> </compound>