307197 <common-name>2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine</common-name> <description>2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C17H18N6O and an average molecular weight of 322.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3039218</pubchem-id> <chemical-formula>C17H18N6O</chemical-formula> <weight>322.4</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">2026-08-29T01:12:44Z</created-at> <updated-at type="dateTime">2026-08-29T01:12:44Z</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>C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N</moldb-smiles> <moldb-formula>C17H18N6O</moldb-formula> <moldb-inchi>InChI=1S/C17H18N6O/c18-17(19)21-11-15-13-6-1-2-7-14(13)16(24)23(22-15)10-8-12-5-3-4-9-20-12/h1-7,9H,8,10-11H2,(H4,18,19,21)</moldb-inchi> <moldb-inchikey>YYPUFGABKAYEQN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">322.1542092</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</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>CHEM303090</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine</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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0258249</sync-id> <structure-inchikey>YYPUFGABKAYEQN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000080002000800000000000000000000000000200000002000000001000008208000080000000000800000000000008000000000000000000000000000000000002000000000000800000c000000000000000000010000000000000000000000000000000100000000000000001000000000000000000000800000000000004050001000000100000000001000000000000000000000000080040100080000000000000000080000000000000000000000000000040000001000000000000000008000000000000000008200000000000000000000000000002040000040000003000000080000000000000000000040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@(������@(������@(�������(�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������`�������(�������(�������h��������h���������h���h���h���h���h���h���h���h�� h� (�������� � �h���h���h���h���h���������(��� �� ��h� �h�� h�B��������������� �������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:27Z</structure-indexed-at> </compound>