4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one

C15H17BrFN3O — CID 114440333

IUPAC4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(C)c(F)c2)c(Br)c1=O
InChIInChI=1S/C15H17BrFN3O/c1-4-20-15(21)14(16)13(8-18-20)19-10(3)11-6-5-9(2)12(17)7-11/h5-8,10,19H,4H2,1-3H3
InChIKeyJAWICKQSYBOCIR-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one (PubChem CID 114440333) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one
PubChem CID114440333
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(C)c(F)c2)c(Br)c1=O
InChIInChI=1S/C15H17BrFN3O/c1-4-20-15(21)14(16)13(8-18-20)19-10(3)11-6-5-9(2)12(17)7-11/h5-8,10,19H,4H2,1-3H3
InChIKeyJAWICKQSYBOCIR-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
5-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 114386191
4-bromo-2-ethyl-5-[(2-hydroxy-1-phenylethyl)amino]pyridazin-3-one
CID 114437604
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
3-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]benzoic acid
CID 82787749
5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114445638
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-bromo-2-(cyclopropylmethyl)-5-(1-phenylethylamino)pyridazin-3-one
CID 114431893
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one (CID 114440333) is 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one is CCn1ncc(NC(C)c2ccc(C)c(F)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one?
The InChIKey is JAWICKQSYBOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-4-20-15(21)14(16)13(8-18-20)19-10(3)11-6-5-9(2)12(17)7-11/h5-8,10,19H,4H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one has a molecular weight of 354.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[1-(3-fluoro-4-methylphenyl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114440333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).