4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one

C14H18BrN3O2S — CID 114435565

IUPAC4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)Cc2ccsc2)c(Br)c1=O
InChIInChI=1S/C14H18BrN3O2S/c1-10(7-11-3-6-21-9-11)17-12-8-16-18(4-5-20-2)14(19)13(12)15/h3,6,8-10,17H,4-5,7H2,1-2H3
InChIKeyKFKGBQWSEBJNEW-UHFFFAOYSA-N
MW372.29 g/mol
LogP2.76
Rot. Bonds7

About 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one (PubChem CID 114435565) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
PubChem CID114435565
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)Cc2ccsc2)c(Br)c1=O
InChIInChI=1S/C14H18BrN3O2S/c1-10(7-11-3-6-21-9-11)17-12-8-16-18(4-5-20-2)14(19)13(12)15/h3,6,8-10,17H,4-5,7H2,1-2H3
InChIKeyKFKGBQWSEBJNEW-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-prop-2-ynyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435559
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
4-bromo-5-(but-3-yn-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114443545
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435402
4-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439982
4-bromo-2-(2-methoxyethyl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114438798
4-bromo-2-(2-methoxyethyl)-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442483
4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926
4-bromo-5-(hex-1-yn-3-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 106231430
4-bromo-2-(2-methoxyethyl)-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440270
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)acetamide
CID 114441419
5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446563

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one (CID 114435565) is 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one is COCCn1ncc(NC(C)Cc2ccsc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The InChIKey is KFKGBQWSEBJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-10(7-11-3-6-21-9-11)17-12-8-16-18(4-5-20-2)14(19)13(12)15/h3,6,8-10,17H,4-5,7H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one has a molecular weight of 372.29 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114435565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).