4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one

C10H16BrN3O2S — CID 114442599

IUPAC4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCS(C)=O)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O2S/c1-3-14-10(15)9(11)8(7-13-14)12-5-4-6-17(2)16/h7,12H,3-6H2,1-2H3
InChIKeyUMOZOJIGXMXWEZ-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.21
Rot. Bonds6

About 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one

4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one (PubChem CID 114442599) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
PubChem CID114442599
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCS(C)=O)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O2S/c1-3-14-10(15)9(11)8(7-13-14)12-5-4-6-17(2)16/h7,12H,3-6H2,1-2H3
InChIKeyUMOZOJIGXMXWEZ-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-(3-methylsulfinylpropylamino)pyridazin-3-one
CID 114442593
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-2-ethyl-5-(3-ethylsulfanylpropylamino)pyridazin-3-one
CID 114248240
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
CID 114436674
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]ethylurea
CID 114441212
4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325882
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
ethyl 3-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]propanoate
CID 114436700

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one (CID 114442599) is 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one is CCn1ncc(NCCCS(C)=O)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one?
The InChIKey is UMOZOJIGXMXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-3-14-10(15)9(11)8(7-13-14)12-5-4-6-17(2)16/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one?
4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one has a molecular weight of 322.23 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one is sourced from PubChem (CID 114442599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).