87608 <common-name>3-Isopropyl-(1H)-pyrazin-2-one</common-name> <description>3-Isopropyl-(1H)-pyrazin-2-one belongs to the pyrazines, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the formula C7H10N2O and an average molecular weight of 138.17 g/mol.</description> <cas>25680-59-5</cas> <pubchem-id>117602</pubchem-id> <chemical-formula>C7H10N2O</chemical-formula> <weight>138.17</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">2026-04-04T22:18:57Z</created-at> <updated-at type="dateTime">2026-08-23T17:01:27Z</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)C1=NC=CNC1=O</moldb-smiles> <moldb-formula>C7H10N2O</moldb-formula> <moldb-inchi>InChI=1/C7H10N2O/c1-5(2)6-7(10)9-4-3-8-6/h3-5H,1-2H3,(H,9,10)</moldb-inchi> <moldb-inchikey>DZWQRZCJQHBJRI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">138.17</moldb-average-mass> <moldb-mono-mass type="decimal">138.0793129</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</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>CHEM083501</chemdb-id> <dsstox-id>DTXSID50180381</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048211</susdat-id> <iupac>3-propan-2-yl-1H-pyrazin-2-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>Diazines</klass> <subklass>Pyrazines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0097898</sync-id> <structure-inchikey>DZWQRZCJQHBJRI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000001000000020000001000000002000000000000000000000000000000000000000000000000000000200000000000020000000000000000000000002000000000000020000000000000000000000000000000008000000000000000000000000000040000000000000200000000000000000000000000000000000000001000000000000000000000000080000000000000000080000000000002000000000000000000008004000000000000000000000000000000000000000000000000000000000000000002040080000000002000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������`������@(������@(������@h�������@h�������@8�������@(�������(�����������������h���h���h���h���h�� (���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:31:35Z</structure-indexed-at> </compound>