4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one

C13H23BrN4O — CID 114436154

IUPAC4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O
InChIInChI=1S/C13H23BrN4O/c1-6-7-18-12(19)11(14)10(8-16-18)15-9-13(2,3)17(4)5/h8,15H,6-7,9H2,1-5H3
InChIKeyXSCRHWURPFUBMU-UHFFFAOYSA-N
MW331.26 g/mol
LogP2.17
Rot. Bonds6

About 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one

4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one (PubChem CID 114436154) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
PubChem CID114436154
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O
InChIInChI=1S/C13H23BrN4O/c1-6-7-18-12(19)11(14)10(8-16-18)15-9-13(2,3)17(4)5/h8,15H,6-7,9H2,1-5H3
InChIKeyXSCRHWURPFUBMU-UHFFFAOYSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
N-[1-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438200
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
CID 114442219
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-5-(2-methylsulfanylpropylamino)-2-propylpyridazin-3-one
CID 114442028
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-propyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438156

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one (CID 114436154) is 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one is CCCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one?
The InChIKey is XSCRHWURPFUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-6-7-18-12(19)11(14)10(8-16-18)15-9-13(2,3)17(4)5/h8,15H,6-7,9H2,1-5H3.
What are the key properties of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one?
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one has a molecular weight of 331.26 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).