CHEBI:5962 - irgarol 1051

Main ChEBI Ontology Automatic Xrefs
ChEBI Name irgarol 1051
ChEBI ID CHEBI:5962
Definition A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H19N5S
Net Charge 0
Average Mass 253.36826
InChI InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKey HDHLIWCXDDZUFH-UHFFFAOYSA-N
SMILES CSc1nc(NC2CC2)nc(NC(C)(C)C)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): antifouling biocide
A compound that inhibits the growth of marine organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing irgarol 1051 (CHEBI:5962) has functional parent 1,3,5-triazine-2,4-diamine (CHEBI:38071)
irgarol 1051 (CHEBI:5962) has parent hydride 1,3,5-triazine (CHEBI:30259)
irgarol 1051 (CHEBI:5962) has role antifouling biocide (CHEBI:51076)
irgarol 1051 (CHEBI:5962) has role environmental contaminant (CHEBI:78298)
irgarol 1051 (CHEBI:5962) has role xenobiotic (CHEBI:35703)
irgarol 1051 (CHEBI:5962) is a aryl sulfide (CHEBI:35683)
irgarol 1051 (CHEBI:5962) is a cyclopropanes (CHEBI:51454)
irgarol 1051 (CHEBI:5962) is a diamino-1,3,5-triazine (CHEBI:38170)
IUPAC Name
N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
Synonym Source
Cybutryne ChemIDplus
Brand Name Source
Irgarol 1051 ChEBI
Database Link Database
C10927 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
28159-98-0 CAS Registry Number ChemIDplus
792218 Reaxys Registry Number Reaxys
792218 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17136316 PubMed citation CiteXplore
22789406 PubMed citation CiteXplore
23722069 PubMed citation CiteXplore
Last Modified
03 November 2014