4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one

C15H18BrN3O — CID 115623969

IUPAC4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCCc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-11-5-7-12(8-6-11)10(2)18-13-9-17-19(3)15(20)14(13)16/h5-10,18H,4H2,1-3H3
InChIKeyWIPSOVARWKQGAQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.28
Rot. Bonds4

About 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one

4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one (PubChem CID 115623969) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
PubChem CID115623969
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCCc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-4-11-5-7-12(8-6-11)10(2)18-13-9-17-19(3)15(20)14(13)16/h5-10,18H,4H2,1-3H3
InChIKeyWIPSOVARWKQGAQ-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 113235044
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
CID 133303054
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one (CID 115623969) is 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one is CCc1ccc(C(C)Nc2cnn(C)c(=O)c2Br)cc1.
What is the InChIKey of 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is WIPSOVARWKQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-11-5-7-12(8-6-11)10(2)18-13-9-17-19(3)15(20)14(13)16/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one?
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 336.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115623969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).