CHEBI:30263 - terbutylazine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name terbutylazine
ChEBI ID CHEBI:30263
Definition A diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C9H16ClN5
Net Charge 0
Average Mass 229.71000
Monoisotopic Mass 229.109
InChI InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
InChIKey FZXISNSWEXTPMF-UHFFFAOYSA-N
SMILES CCNc1nc(Cl)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 (Bronsted 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): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing terbutylazine (CHEBI:30263) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726)
terbutylazine (CHEBI:30263) has role environmental contaminant (CHEBI:78298)
terbutylazine (CHEBI:30263) has role herbicide (CHEBI:24527)
terbutylazine (CHEBI:30263) has role xenobiotic (CHEBI:35703)
terbutylazine (CHEBI:30263) is a chloro-1,3,5-triazine (CHEBI:38168)
terbutylazine (CHEBI:30263) is a diamino-1,3,5-triazine (CHEBI:38170)
IUPAC Name
N-(tert-butyl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
Synonyms Sources
Terbuthylazine NIST Chemistry WebBook
Terbutylazine ChemIDplus
Terbutylethylazine ChemIDplus
Manual Xrefs Databases
623 PPDB
C18810 KEGG COMPOUND
terbuthylazine Alan Wood's Pesticides
Terbuthylazine Wikipedia
View more database links
Registry Numbers Types Sources
3951137 Reaxys Registry Number Reaxys
3951137 Beilstein Registry Number Beilstein
5915-41-3 CAS Registry Number ChemIDplus
5915-41-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16526725 PubMed citation Europe PMC
23280488 PubMed citation Europe PMC
23288680 PubMed citation Europe PMC
24468338 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag