6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C16H16BrN3O2 — CID 7659757

IUPAC6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)N1CCCC1
InChIInChI=1S/C16H16BrN3O2/c17-13-5-3-4-12(10-13)14-6-7-15(21)20(18-14)11-16(22)19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2
InChIKeyFBLMFPDAEBQFMQ-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.30
Rot. Bonds3

About 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 7659757) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID7659757
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)N1CCCC1
InChIInChI=1S/C16H16BrN3O2/c17-13-5-3-4-12(10-13)14-6-7-15(21)20(18-14)11-16(22)19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2
InChIKeyFBLMFPDAEBQFMQ-UHFFFAOYSA-N
XLogP2.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41376301
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
CID 13235879
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 121051087
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 7659757) is 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)N1CCCC1.
What is the InChIKey of 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is FBLMFPDAEBQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-13-5-3-4-12(10-13)14-6-7-15(21)20(18-14)11-16(22)19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 362.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7659757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).