2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one

C13H21ClN4O — CID 114445759

IUPAC2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCCCn1ncc(N2CCNC(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-4-6-18-13(19)12(14)11(8-16-18)17-7-5-15-10(2)9-17/h8,10,15H,3-7,9H2,1-2H3
InChIKeyVLBTXADKIJMYPW-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.49
Rot. Bonds4

About 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one

2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114445759) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114445759
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCCCn1ncc(N2CCNC(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-4-6-18-13(19)12(14)11(8-16-18)17-7-5-15-10(2)9-17/h8,10,15H,3-7,9H2,1-2H3
InChIKeyVLBTXADKIJMYPW-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 104976171
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774
4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
CID 104976047
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
1-(1-butyl-5-chloro-6-oxopyridazin-4-yl)piperazine-2-carboxylic acid
CID 114445817
2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one
CID 114445784
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one (CID 114445759) is 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one is CCCCn1ncc(N2CCNC(C)C2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is VLBTXADKIJMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-4-6-18-13(19)12(14)11(8-16-18)17-7-5-15-10(2)9-17/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114445759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).