5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one

C13H13BrClN3O — CID 115577699

IUPAC5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(Nc1cnn(C)c(=O)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3O/c1-8(9-3-5-10(14)6-4-9)17-11-7-16-18(2)13(19)12(11)15/h3-8,17H,1-2H3
InChIKeyYHGQFDUDVKHFLQ-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.37
Rot. Bonds3

About 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one

5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 115577699) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
PubChem CID115577699
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(Nc1cnn(C)c(=O)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3O/c1-8(9-3-5-10(14)6-4-9)17-11-7-16-18(2)13(19)12(11)15/h3-8,17H,1-2H3
InChIKeyYHGQFDUDVKHFLQ-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
CID 51932024
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
CID 114431888
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylpyridazin-3-one
CID 115580005
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-chloro-2-methyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114417786
4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
CID 133302491

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one (CID 115577699) is 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one is CC(Nc1cnn(C)c(=O)c1Cl)c1ccc(Br)cc1.
What is the InChIKey of 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is YHGQFDUDVKHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-8(9-3-5-10(14)6-4-9)17-11-7-16-18(2)13(19)12(11)15/h3-8,17H,1-2H3.
What are the key properties of 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one?
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 342.62 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 115577699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).