2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one

C16H20ClN3O — CID 55346837

IUPAC2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
SMILESCC(C)C(C)Nc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-11(2)12(3)19-14-9-18-20(16(21)15(14)17)10-13-7-5-4-6-8-13/h4-9,11-12,19H,10H2,1-3H3
InChIKeyFSNUCGVFKAIYBR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.40
Rot. Bonds5

About 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one

2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one (PubChem CID 55346837) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
PubChem CID55346837
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
SMILESCC(C)C(C)Nc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-11(2)12(3)19-14-9-18-20(16(21)15(14)17)10-13-7-5-4-6-8-13/h4-9,11-12,19H,10H2,1-3H3
InChIKeyFSNUCGVFKAIYBR-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
CID 133310951
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
4-chloro-5-(1-phenylethylamino)-2-prop-2-enylpyridazin-3-one
CID 114431890
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
CID 133290057
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one (CID 55346837) is 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one is CC(C)C(C)Nc1cnn(Cc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one?
The InChIKey is FSNUCGVFKAIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)12(3)19-14-9-18-20(16(21)15(14)17)10-13-7-5-4-6-8-13/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of 2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one?
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.40, 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-(3-methylbutan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 55346837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).