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

ChEBI IDCHEBI:192591
ChEBI NameN5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14ClN5O
Net Charge0
Average Mass315.764
Monoisotopic Mass315.08869
SMILESNc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)n1
InChIInChI=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)
InChIKeyKRCUOVZXEJFNAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
2084616ChemSpider