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ChEBI
> Main
CHEBI:5962 - irgarol 1051
Main
ChEBI Ontology
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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.
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Formula
C11H19N5S
Net Charge
0
Average Mass
253.36826
Monoisotopic Mass
253.13612
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.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
Manual Xrefs
Databases
2747
PPDB
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
Types
Sources
17136316
PubMed citation
Europe PMC
22789406
PubMed citation
Europe PMC
23722069
PubMed citation
Europe PMC
Last Modified
03 November 2014