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

C11H18BrN3O — CID 106329404

IUPAC4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
SMILESCCC(C)(CC)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O/c1-5-11(3,6-2)14-8-7-13-15(4)10(16)9(8)12/h7,14H,5-6H2,1-4H3
InChIKeyFKGGUWQCPQOMMF-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.53
Rot. Bonds4

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

4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one (PubChem CID 106329404) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
PubChem CID106329404
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
SMILESCCC(C)(CC)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O/c1-5-11(3,6-2)14-8-7-13-15(4)10(16)9(8)12/h7,14H,5-6H2,1-4H3
InChIKeyFKGGUWQCPQOMMF-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpyridazin-3-one
CID 115681121
5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446862
4-bromo-2-butyl-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114438893
4-bromo-5-[(2-hydroxy-2-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113235103
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-5-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 106177809
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
CID 103741790

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one (CID 106329404) is 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one is CCC(C)(CC)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one?
The InChIKey is FKGGUWQCPQOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-11(3,6-2)14-8-7-13-15(4)10(16)9(8)12/h7,14H,5-6H2,1-4H3.
What are the key properties of 4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one?
4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one has a molecular weight of 288.19 g/mol, XLogP of 2.53, 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-(3-methylpentan-3-ylamino)pyridazin-3-one is sourced from PubChem (CID 106329404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).