4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

C11H15BrN4O3 — CID 106191911

IUPAC4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCOCCn1ncc(NC2CNC(=O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O3/c1-19-3-2-16-11(18)10(12)8(6-14-16)15-7-4-9(17)13-5-7/h6-7,15H,2-5H2,1H3,(H,13,17)
InChIKeyWTTVIKRCLSFARH-UHFFFAOYSA-N
MW331.17 g/mol
LogP-0.05
Rot. Bonds5

About 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 106191911) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID106191911
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCOCCn1ncc(NC2CNC(=O)C2)c(Br)c1=O
InChIInChI=1S/C11H15BrN4O3/c1-19-3-2-16-11(18)10(12)8(6-14-16)15-7-4-9(17)13-5-7/h6-7,15H,2-5H2,1H3,(H,13,17)
InChIKeyWTTVIKRCLSFARH-UHFFFAOYSA-N
XLogP-0.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191769
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
CID 114433735
4-bromo-5-[(3,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439049
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586
4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114438394
4-bromo-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436041
4-bromo-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114504770
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 115624182
4-bromo-5-[(6-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114437939
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-bromo-2-(2-methoxyethyl)-5-[(1-methylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (CID 106191911) is 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is COCCn1ncc(NC2CNC(=O)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is WTTVIKRCLSFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-19-3-2-16-11(18)10(12)8(6-14-16)15-7-4-9(17)13-5-7/h6-7,15H,2-5H2,1H3,(H,13,17).
What are the key properties of 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 331.17 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106191911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).