CHEBI:192591 - N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
ChEBI ID CHEBI:192591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H14ClN5O
Net Charge 0
Average Mass 315.760
Monoisotopic Mass 315.08869
InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)
InChIKey KRCUOVZXEJFNAE-UHFFFAOYSA-N
SMILES ClC=1C(CNC=2N=C(NN2)N)=C(OC3=CC=CC=C3)C=CC1
Metabolite of Species Details
Valsa sordida (NCBI:txid252740) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine (CHEBI:192591) is a aromatic ether (CHEBI:35618)
IUPAC Name
3-N-[(2-chloro-6-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Manual Xref Database
2084616 ChemSpider
View more database links