4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one

C16H20BrN3O2 — CID 133353632

IUPAC4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(C)CCNc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C16H20BrN3O2/c1-11(12-4-6-13(22-3)7-5-12)8-9-18-14-10-19-20(2)16(21)15(14)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyCCYHHMNGKZHHKS-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.16
Rot. Bonds6

About 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one

4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one (PubChem CID 133353632) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one
PubChem CID133353632
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(C)CCNc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C16H20BrN3O2/c1-11(12-4-6-13(22-3)7-5-12)8-9-18-14-10-19-20(2)16(21)15(14)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyCCYHHMNGKZHHKS-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-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-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
CID 133303798
4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
CID 133303054
4-bromo-5-[3-(2,5-dimethoxyphenyl)propylamino]-2-methylpyridazin-3-one
CID 133403053
4-bromo-5-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 133303042
4-bromo-5-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113340114
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-2-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylamino]pyridazin-3-one
CID 133303589
4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one (CID 133353632) is 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one is COc1ccc(C(C)CCNc2cnn(C)c(=O)c2Br)cc1.
What is the InChIKey of 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one?
The InChIKey is CCYHHMNGKZHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-11(12-4-6-13(22-3)7-5-12)8-9-18-14-10-19-20(2)16(21)15(14)17/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one?
4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one has a molecular weight of 366.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133353632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).