22470 <common-name>Atrazine-2-Hydroxy</common-name> <description>Atrazine-2-Hydroxy belongs to the 1,3,5-triazines, a subclass of triazines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C8H15N5O. The compound has an average molecular weight of 197.24 g/mol.</description> <cas>2163-68-0</cas> <pubchem-id>135398733</pubchem-id> <chemical-formula>C8H15N5O</chemical-formula> <weight>197.24</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">2016-05-25T03:27:29Z</created-at> <updated-at type="dateTime">2026-08-24T16:02:01Z</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>CCNC1=NC(O)=NC(NC(C)C)=N1</moldb-smiles> <moldb-formula>C8H15N5O</moldb-formula> <moldb-inchi>InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)</moldb-inchi> <moldb-inchikey>NFMIMWNQWAWNDW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">197.242</moldb-average-mass> <moldb-mono-mass type="decimal">197.127660123</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15693</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>CHEM021365</chemdb-id> <dsstox-id>DTXSID6037807</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000255</susdat-id> <iupac>4-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one</iupac> <moldb-polar-surface-area>82.96000000000001</moldb-polar-surface-area> <moldb-refractivity>58.644099999999995</moldb-refractivity> <moldb-polarizability>21.260576440727483</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>14.155091876288893</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.9870194598360333</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.69</moldb-alogps-logp> <moldb-alogps-logs>-2.82</moldb-alogps-logs> <moldb-alogps-solubility>2.98e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Triazines</klass> <subklass>1,3,5-triazines</subklass> <paper-count type="integer">15</paper-count> <sync-id>CED0026072</sync-id> <structure-inchikey>NFMIMWNQWAWNDW-UHFFFAOYSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:08:50Z</structure-indexed-at> </compound>