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

C12H21BrN4O — CID 114436162

IUPAC4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O/c1-6-17-11(18)10(13)9(7-15-17)14-8-12(2,3)16(4)5/h7,14H,6,8H2,1-5H3
InChIKeyZLZLVEDGZPFNLO-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.78
Rot. Bonds5

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

4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one (PubChem CID 114436162) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
PubChem CID114436162
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O/c1-6-17-11(18)10(13)9(7-15-17)14-8-12(2,3)16(4)5/h7,14H,6,8H2,1-5H3
InChIKeyZLZLVEDGZPFNLO-UHFFFAOYSA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-5-(2,2-dimethylheptylamino)-2-ethylpyridazin-3-one
CID 114440344
4-bromo-2-ethyl-5-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridazin-3-one
CID 114439802
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
CID 114442599
4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437451
4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
CID 114436674
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
4-bromo-2-ethyl-5-(3-ethylsulfanylpropylamino)pyridazin-3-one
CID 114248240

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one (CID 114436162) is 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one is CCn1ncc(NCC(C)(C)N(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one?
The InChIKey is ZLZLVEDGZPFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-6-17-11(18)10(13)9(7-15-17)14-8-12(2,3)16(4)5/h7,14H,6,8H2,1-5H3.
What are the key properties of 4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one?
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one has a molecular weight of 317.23 g/mol, XLogP of 1.78, 5 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-ethylpyridazin-3-one is sourced from PubChem (CID 114436162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).