2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one

C16H20ClN3O — CID 114433970

IUPAC2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2cccc(C)c2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-3-4-8-20-16(21)15(17)14(11-19-20)18-10-13-7-5-6-12(2)9-13/h5-7,9,11,18H,3-4,8,10H2,1-2H3
InChIKeySVYQXSMVVZRBRG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.62
Rot. Bonds6

About 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one

2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one (PubChem CID 114433970) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
PubChem CID114433970
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2cccc(C)c2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-3-4-8-20-16(21)15(17)14(11-19-20)18-10-13-7-5-6-12(2)9-13/h5-7,9,11,18H,3-4,8,10H2,1-2H3
InChIKeySVYQXSMVVZRBRG-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
CID 114437534
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
4-[[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382216
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
5-[(3-bromothiophen-2-yl)methylamino]-2-butyl-4-chloropyridazin-3-one
CID 114440350

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one (CID 114433970) is 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one is CCCCn1ncc(NCc2cccc(C)c2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one?
The InChIKey is SVYQXSMVVZRBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-4-8-20-16(21)15(17)14(11-19-20)18-10-13-7-5-6-12(2)9-13/h5-7,9,11,18H,3-4,8,10H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one?
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114433970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).