4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one

C14H24BrN3O — CID 114443259

IUPAC4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCC(C)(C)C)c(Br)c1=O
InChIInChI=1S/C14H24BrN3O/c1-5-6-9-18-13(19)12(15)11(10-17-18)16-8-7-14(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyDAFLWYNPMSJPMF-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.65
Rot. Bonds6

About 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one

4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one (PubChem CID 114443259) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
PubChem CID114443259
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCC(C)(C)C)c(Br)c1=O
InChIInChI=1S/C14H24BrN3O/c1-5-6-9-18-13(19)12(15)11(10-17-18)16-8-7-14(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyDAFLWYNPMSJPMF-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430875
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-[2-(1H-imidazol-5-yl)ethylamino]pyridazin-3-one
CID 114439392
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
4-bromo-2-butyl-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114438893
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one (CID 114443259) is 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one is CCCCn1ncc(NCCC(C)(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one?
The InChIKey is DAFLWYNPMSJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-5-6-9-18-13(19)12(15)11(10-17-18)16-8-7-14(2,3)4/h10,16H,5-9H2,1-4H3.
What are the key properties of 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one?
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one has a molecular weight of 330.27 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one is sourced from PubChem (CID 114443259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).