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

C14H23ClN4O — CID 114445784

IUPAC2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one
SMILESCCCCn1ncc(N2CCNCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-4-5-7-19-13(20)12(15)11(9-17-19)18-8-6-16-10-14(18,2)3/h9,16H,4-8,10H2,1-3H3
InChIKeyVBWNOPVTJKGIDI-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.88
Rot. Bonds4

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

2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114445784) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one
PubChem CID114445784
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one
SMILESCCCCn1ncc(N2CCNCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-4-5-7-19-13(20)12(15)11(9-17-19)18-8-6-16-10-14(18,2)3/h9,16H,4-8,10H2,1-3H3
InChIKeyVBWNOPVTJKGIDI-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one
CID 80746315
1-(1-butyl-5-chloro-6-oxopyridazin-4-yl)piperazine-2-carboxylic acid
CID 114445817
4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
CID 69188393
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-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 104922079
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one (CID 114445784) is 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one is CCCCn1ncc(N2CCNCC2(C)C)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is VBWNOPVTJKGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-4-5-7-19-13(20)12(15)11(9-17-19)18-8-6-16-10-14(18,2)3/h9,16H,4-8,10H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one?
2-butyl-4-chloro-5-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 298.82 g/mol, XLogP of 1.88, 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-(2,2-dimethylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).