4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one

C16H20BrN3O2 — CID 133303054

IUPAC4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(Nc2cnn(C)c(=O)c2Br)C(C)C)cc1
InChIInChI=1S/C16H20BrN3O2/c1-10(2)15(11-5-7-12(22-4)8-6-11)19-13-9-18-20(3)16(21)14(13)17/h5-10,15,19H,1-4H3
InChIKeyVVXGWFSMZWJHPT-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.36
Rot. Bonds5

About 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one

4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one (PubChem CID 133303054) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
PubChem CID133303054
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(Nc2cnn(C)c(=O)c2Br)C(C)C)cc1
InChIInChI=1S/C16H20BrN3O2/c1-10(2)15(11-5-7-12(22-4)8-6-11)19-13-9-18-20(3)16(21)14(13)17/h5-10,15,19H,1-4H3
InChIKeyVVXGWFSMZWJHPT-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one
CID 133353632
4-bromo-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
CID 133303020
4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
CID 133303798
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one
CID 133303502
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
methyl 2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-4-methylpentanoate
CID 115624202
4-bromo-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133445144
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one (CID 133303054) is 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one is COc1ccc(C(Nc2cnn(C)c(=O)c2Br)C(C)C)cc1.
What is the InChIKey of 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one?
The InChIKey is VVXGWFSMZWJHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-10(2)15(11-5-7-12(22-4)8-6-11)19-13-9-18-20(3)16(21)14(13)17/h5-10,15,19H,1-4H3.
What are the key properties of 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one?
4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one has a molecular weight of 366.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).