4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one

C15H17Cl2N3O — CID 133375230

IUPAC4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
SMILESCCC(CNc1cnn(C)c(=O)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3O/c1-3-10(11-4-6-12(16)7-5-11)8-18-13-9-19-20(2)15(21)14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyFLIBCUJYIDSNSH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.69
Rot. Bonds5

About 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one

4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one (PubChem CID 133375230) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
PubChem CID133375230
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
SMILESCCC(CNc1cnn(C)c(=O)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3O/c1-3-10(11-4-6-12(16)7-5-11)8-18-13-9-19-20(2)15(21)14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyFLIBCUJYIDSNSH-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one (CID 133375230) is 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one is CCC(CNc1cnn(C)c(=O)c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one?
The InChIKey is FLIBCUJYIDSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-3-10(11-4-6-12(16)7-5-11)8-18-13-9-19-20(2)15(21)14(13)17/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one has a molecular weight of 326.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133375230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).