8225 <common-name>PEPTONES</common-name> <description nil="true"/> <cas>73049-73-7</cas> <pubchem-id>9257</pubchem-id> <chemical-formula>C2H3N3</chemical-formula> <weight>69.07</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">2016-05-19T02:21:38Z</created-at> <updated-at type="dateTime">2026-05-14T17:50:48Z</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>DB03594</drugbank-id> <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>N1C=NC=N1</moldb-smiles> <moldb-formula>C2H3N3</moldb-formula> <moldb-inchi>InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)</moldb-inchi> <moldb-inchikey>NSPMIYGKQJPBQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">69.0653</moldb-average-mass> <moldb-mono-mass type="decimal">69.032697111</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.41</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8900</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>CHEM007120</chemdb-id> <dsstox-id>DTXSID6027131</dsstox-id> <toxcast-id>27131</toxcast-id> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00000953</stoff-ident-id> <susdat-id nil="true"/> <iupac>1H-1,2,4-triazole</iupac> <moldb-polar-surface-area>41.57</moldb-polar-surface-area> <moldb-refractivity>18.9195</moldb-refractivity> <moldb-polarizability>5.937161366695722</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>8.99878890849099</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.474903721213428</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.80</moldb-alogps-logp> <moldb-alogps-logs>0.92</moldb-alogps-logs> <moldb-alogps-solubility>5.69e+02 g/l</moldb-alogps-solubility> </compound>