4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one

C8H8Cl2N4O — CID 106191764

IUPAC4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2cc(Cl)nnc2Cl)CN1
InChIInChI=1S/C8H8Cl2N4O/c9-6-2-5(8(10)14-13-6)12-4-1-7(15)11-3-4/h2,4H,1,3H2,(H,11,15)(H,12,13)
InChIKeyTZBRUXPUVLSILQ-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.08
Rot. Bonds2

About 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one

4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106191764) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one
PubChem CID106191764
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.08 g/mol
Exact Mass246.01
IUPAC Name4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2cc(Cl)nnc2Cl)CN1
InChIInChI=1S/C8H8Cl2N4O/c9-6-2-5(8(10)14-13-6)12-4-1-7(15)11-3-4/h2,4H,1,3H2,(H,11,15)(H,12,13)
InChIKeyTZBRUXPUVLSILQ-UHFFFAOYSA-N
XLogP1.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,6-dichloropyridazin-4-yl)acetamide
CID 87395792
N-(3,6-Dichloro-4-pyridazinyl)pivalamide
CID 124193469
N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
CID 135217284
1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone
CID 167436974
N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide
CID 174610331
3-[(3,6-Dichloropyridazin-4-yl)amino]butanoic acid
CID 81763281
2-[[2-[(3,6-Dichloropyridazin-4-yl)amino]acetyl]amino]acetic acid
CID 81763293
[1-(3,6-Dichloropyridazin-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 81763756
N'-(3,6-dichloropyridazin-4-yl)butane-1,4-diamine
CID 81763889
4-[(3,6-Dichloropyridazin-4-yl)amino]butanamide
CID 81764104
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 81764113
2-[(3,6-Dichloropyridazin-4-yl)amino]propanamide
CID 81764193

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one (CID 106191764) is 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2cc(Cl)nnc2Cl)CN1.
What is the InChIKey of 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is TZBRUXPUVLSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-6-2-5(8(10)14-13-6)12-4-1-7(15)11-3-4/h2,4H,1,3H2,(H,11,15)(H,12,13).
What are the key properties of 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one?
4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 247.08 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloropyridazin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106191764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).