101718 <common-name>5-Heptyl-1H-1,2,4-triazol-3-amine monohydrochloride</common-name> <description>5-Heptyl-1H-1,2,4-triazol-3-amine monohydrochloride belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C9H18N4 and an average molecular weight of 218.73 g/mol.</description> <cas>20586-95-2</cas> <pubchem-id>566931</pubchem-id> <chemical-formula>C9H18N4</chemical-formula> <weight nil="true"/> <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">2026-04-05T08:47:17Z</created-at> <updated-at type="dateTime">2026-04-05T08:47:17Z</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>Cl.CCCCCCCC1=NC(N)=NN1</moldb-smiles> <moldb-formula>C9H18N4</moldb-formula> <moldb-inchi>InChI=1/C9H18N4.ClH/c1-2-3-4-5-6-7-8-11-9(10)13-12-8;/h2-7H2,1H3,(H3,10,11,12,13);1H</moldb-inchi> <moldb-inchikey>PFSHUJFQNYUNLS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">218.73</moldb-average-mass> <moldb-mono-mass type="decimal">182.1531466</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM097611</chemdb-id> <dsstox-id>DTXSID70234870</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00065030</susdat-id> <iupac nil="true"/> <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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0112168</sync-id> <structure-inchikey>PFSHUJFQNYUNLS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20900000000000000000000000000000000000000020000000000002000000000000000000002000000840000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000040000000000000200000010000001000800000000000001000000000000000000000000000000000080010000100000008004000000000000000000020000000000000000000000000000000000000000000000000000004000000000000000000000001000000000000010000200000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>80200000000000001002000000000000005000000202040020000044000000000800000000001000080000004200002000c10010000443000a0000084110000001000000080100000620080000000004221011200000420002000000c200000000002002000000040004200200080300100008411180820001000020040010004400008080000000a880008100400024400000200000800000000048003000000004000000028000024201002c0000000010800080000008000022800400044040010000080000000001200000000000000402000120004080001000000080010000000800200100000200000000010004000080000000058100000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADQAAAIABEQBAAAAAAQYAYAAAAAED BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBwBoAAAAAwECB0AoAAAAAwMH QDgAAAADAQMLAQIAAgMAAwQABAUABQYABgcABwgACAloDAkKaAwKCyAKDGgM DA1oDA0IaAxCAQAAAAUICQoMDRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:00Z</structure-indexed-at> </compound>