87660 <common-name>1-Cyanobiguanide</common-name> <description>1-Cyanobiguanide belongs to the guanidines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C3H6N6 and an average molecular weight of 126.12 g/mol. This substance is further classified as an organic nitrogen compound.</description> <cas>2978-35-0</cas> <pubchem-id>76318</pubchem-id> <chemical-formula>C3H6N6</chemical-formula> <weight>126.12</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">2026-04-04T22:20:28Z</created-at> <updated-at type="dateTime">2026-08-31T23:35:03Z</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>NC(=N)NC(=N)NC#N</moldb-smiles> <moldb-formula>C3H6N6</moldb-formula> <moldb-inchi>InChI=1/C3H6N6/c4-1-8-3(7)9-2(5)6/h(H6,5,6,7,8,9)</moldb-inchi> <moldb-inchikey>BYMLAARMPRFEIG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">126.123</moldb-average-mass> <moldb-mono-mass type="decimal">126.0653942</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.6</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>CHEM083553</chemdb-id> <dsstox-id>DTXSID6062751</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048271</susdat-id> <iupac>2-cyano-1-(diaminomethylidene)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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Guanidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0122473</sync-id> <structure-inchikey>BYMLAARMPRFEIG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000020000002000000000000000000000200010000000000000000000000000000400000040000000000000000000000000000000000000080010000000080001000000000200000000000000000000000000000000000000000008000000000000000100000000000000000000020000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000028000000</structure-fingerprint> <structure-pattern-fingerprint>2000000000020004000000200040000000044002004000800000000001000000000004200000000400000000442000a00000801100000000000000000000004200000000000040000002000000200000000004000000000000000000000040000000200080100d000004113c00000010000200400000044000000800000008000000100400024400000000000800000000000003000000004000000008000020001002c0000000000820000000000000008000000000040000000080000000000000000000000000400000000000080000000000000000080000000000800004000000000000004000000000000050070000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBwBoAAAAAwECBgAoAAAA AwQHAGgAAAADAgEHAGgAAAADAgEGACgAAAADBAcAaAAAAAMCAQcAaAAAAAMC AQYAKAAAAAIEBwAoAAAAAgMLAAEgAQIoAgEDIAMEIAQFKAIEBiAGByAHCCgD QgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:31:37Z</structure-indexed-at> </compound>