301657 <common-name>2-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine</common-name> <description>2-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine belongs to the anisoles, a subclass of phenol ethers within the organic compounds. This benzenoid compound has the chemical formula C16H17N5OS and an average molecular weight of 327.40 g/mol.</description> <cas>618427-18-2</cas> <pubchem-id>3331601</pubchem-id> <chemical-formula>C16H17N5OS</chemical-formula> <weight>327.4</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">2026-08-28T18:43:25Z</created-at> <updated-at type="dateTime">2026-08-28T18:43:25Z</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>CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=NC=CN=C3</moldb-smiles> <moldb-formula>C16H17N5OS</moldb-formula> <moldb-inchi>InChI=1S/C16H17N5OS/c1-3-21-15(14-10-17-7-8-18-14)19-20-16(21)23-11-12-5-4-6-13(9-12)22-2/h4-10H,3,11H2,1-2H3</moldb-inchi> <moldb-inchikey>KBRYGYFYJXGJMM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">327.1153814</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>CHEM297550</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-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine</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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252894</sync-id> <structure-inchikey>KBRYGYFYJXGJMM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800000000800000000000000000000000000000000000000000002000000200004000000002000000000000000000001000000000000000000000001200000000000000000000000000000000100000000000010002000040000200000000040200000100000000000000100000000000800000100000001000040210000800000000410000000080000008000000000000000000000100000000000000000000000080000000000000000480000000000000800000180000000000020001000000000000000000000000000002000000220210000000000000000000004002040000000000000000000000008004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>501000008932824080000940090821000080140005052000003520400200090c50022018109000001000410800800080042000a4408c32090020643000a04000d6110c00029006000090100000720280000405905321113a40000422000041000c210527004092002000040055140201200280700109c08c1118086002510002004821080ef082080c0232400aac0008191c08124400148200000800004060a4404310001010c00000000840017c25100ac20008894108401820060008c082700040108424001a32058000000401128004000800024050200d12020408000300101040100009020400020012c4b22000001000308042000e0000000050100082</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABBgBgAAAAAQMGAGAAAAAC AgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAAAwQQACAA AAACBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBCAAoAAAAAwIGAGAAAAABAwZAKAAAAAMEB0Ao AAAAAwMGQGgAAAADAwEGQGgAAAADAwEHQCgAAAADAwZAaAAAAAMDAQsAAQAB AgACA2gMAwRoDAQFaAwFBmgMBgcABwgACAkACQpoDAoLaAwLDGgMDA1oDA0O aAwLDyAPEAADESAREmgMEhNoDBMUaAwUFWgMFRZoDAYCaAwOCWgMFhFoDEID AAAABQIDBAUGBgoLDA0OCQYSExQVFhEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:17Z</structure-indexed-at> </compound>