CHEBI:111383 - 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone

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ChEBI Name 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone
ChEBI ID CHEBI:111383
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H14ClN3O
Net Charge 0
Average Mass 263.723
Monoisotopic Mass 263.08254
InChI InChI=1S/C13H14ClN3O/c1-9-4-6-10(7-5-9)17-13(18)12(14)11(8-15-17)16(2)3/h4-8H,1-3H3
InChIKey IOQRBNSNIRQGRR-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N(C)C)Cl
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 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone (CHEBI:111383) is a dialkylarylamine (CHEBI:23665)
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone (CHEBI:111383) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-22839 LINCS
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