4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one

C11H18BrN3O — CID 115624134

IUPAC4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-8(7(2)3)14-9-6-13-15(4)11(16)10(9)12/h6-8,14H,5H2,1-4H3
InChIKeyUDTHPMAIACNDBY-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.39
Rot. Bonds4

About 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one

4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one (PubChem CID 115624134) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
PubChem CID115624134
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
SMILESCCC(Nc1cnn(C)c(=O)c1Br)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-8(7(2)3)14-9-6-13-15(4)11(16)10(9)12/h6-8,14H,5H2,1-4H3
InChIKeyUDTHPMAIACNDBY-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-5-(1-hydroxypentan-3-ylamino)-2-methylpyridazin-3-one
CID 115644216
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
4-bromo-2-(2-hydroxyethyl)-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridazin-3-one
CID 114986022
5-[(1-amino-3-methylbutan-2-yl)amino]-4-bromo-2-butylpyridazin-3-one
CID 114445725
4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
4-bromo-2-methyl-5-[1-(1,3-thiazol-2-yl)propylamino]pyridazin-3-one
CID 113239418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one (CID 115624134) is 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one is CCC(Nc1cnn(C)c(=O)c1Br)C(C)C.
What is the InChIKey of 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one?
The InChIKey is UDTHPMAIACNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-8(7(2)3)14-9-6-13-15(4)11(16)10(9)12/h6-8,14H,5H2,1-4H3.
What are the key properties of 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one?
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one has a molecular weight of 288.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one is sourced from PubChem (CID 115624134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).