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

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ChEBI Name 3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine
ChEBI ID CHEBI:114240
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H21N5O
Net Charge 0
Average Mass 311.382
Monoisotopic Mass 311.17461
InChI InChI=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
InChIKey WCZLZKLICVOKBC-UHFFFAOYSA-N
SMILES CCN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-25701 LINCS
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