EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114240 - 3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine

ChEBI IDCHEBI:114240
ChEBI Name3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine
Stars
DownloadsMolfile
FormulaC17H21N5O
Net Charge0
Average Mass311.389
Monoisotopic Mass311.17461
SMILESCCN1CCN(c2cc3c(nn2)Oc2ccccc2N3C)CC1
InChIInChI=1S/C17H21N5O/c1-3-21-8-10-22(11-9-21)16-12-14-17(19-18-16)23-15-7-5-4-6-13(15)20(14)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWCZLZKLICVOKBC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine (CHEBI:114240) is a aromatic amine (CHEBI:33860)
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine (CHEBI:114240) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-25701LINCS