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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
ChEBI ID CHEBI:855
ChEBI ASCII Name 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H15N3O2
Net Charge 0
Average Mass 329.35212
Monoisotopic Mass 329.11643
InChI InChI=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
InChIKey ZSVXKCSZMLMPBW-UHFFFAOYSA-N
SMILES Oc1ccccc1-c1nc(-c2ccccc2O)n(n1)-c1ccccc1
ChEBI Ontology
Outgoing 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 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 Sources
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol KEGG COMPOUND
3,5-bis(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazole ChEBI
decarboxydeferasirox ChEBI
Manual Xref Database
C11569 KEGG COMPOUND
View more database links
Registry Number Type Source
4541552 Reaxys Registry Number Reaxys
Last Modified
30 January 2015