EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:855 - 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol

ChEBI IDCHEBI:855
ChEBI Name2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
Stars
ASCII Name2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
DefinitionA member of the class of triazoles that is 1-phenyl-1H-1,2,4-triazole substituted by 2-hydroxyphenyl groups at positions 3 and 5.
Last Modified30 January 2015
DownloadsMolfile
FormulaC20H15N3O2
Net Charge0
Average Mass329.359
Monoisotopic Mass329.11643
SMILESOc1ccccc1-c1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2/c24-17-12-6-4-10-15(17)19-21-20(16-11-5-7-13-18(16)25)23(22-19)14-8-2-1-3-9-14/h1-13,24-25H
InChIKeyZSVXKCSZMLMPBW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol (CHEBI:855) has parent hydride 1-phenyl-1H-1,2,4-triazole (CHEBI:38967)
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol (CHEBI:855) is a phenols (CHEBI:33853)
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol (CHEBI:855) is a triazoles (CHEBI:35727)
Incoming Relation(s)
deferasirox (CHEBI:49005) has functional parent 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol (CHEBI:855)
IUPAC Name 
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
Synonyms  Source
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenolKEGG COMPOUND
3,5-bis(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazoleChEBI
decarboxydeferasiroxChEBI
Manual XrefsDatabases
C11569KEGG COMPOUND
Registry NumbersSources
Reaxys:4541552Reaxys