2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one

C17H20ClN3O — CID 133417909

IUPAC2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
SMILESCC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCC1
InChIInChI=1S/C17H20ClN3O/c1-12(14-8-5-9-14)20-15-10-19-21(17(22)16(15)18)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14,20H,5,8-9,11H2,1H3
InChIKeyMAJOVAKAXGZAMV-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.55
Rot. Bonds5

About 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one

2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one (PubChem CID 133417909) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
PubChem CID133417909
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
SMILESCC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCC1
InChIInChI=1S/C17H20ClN3O/c1-12(14-8-5-9-14)20-15-10-19-21(17(22)16(15)18)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14,20H,5,8-9,11H2,1H3
InChIKeyMAJOVAKAXGZAMV-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
CID 133310951
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
CID 19245497
2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one
CID 133353364
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
2-benzyl-4-chloro-5-[[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133278022
2-benzyl-4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyridazin-3-one
CID 133385626

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one (CID 133417909) is 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one is CC(Nc1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCC1.
What is the InChIKey of 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one?
The InChIKey is MAJOVAKAXGZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(14-8-5-9-14)20-15-10-19-21(17(22)16(15)18)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,14,20H,5,8-9,11H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one?
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one has a molecular weight of 317.82 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one is sourced from PubChem (CID 133417909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).