2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one

C13H19ClN4O2 — CID 114437934

IUPAC2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCC(=O)NC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(8-16-18)17-9-4-5-11(19)15-7-9/h8-9,17H,2-7H2,1H3,(H,15,19)
InChIKeyDFZLOANZUXICKA-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.39
Rot. Bonds5

About 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114437934) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
PubChem CID114437934
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCC(=O)NC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(8-16-18)17-9-4-5-11(19)15-7-9/h8-9,17H,2-7H2,1H3,(H,15,19)
InChIKeyDFZLOANZUXICKA-UHFFFAOYSA-N
XLogP1.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
CID 106191964
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 115624182
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one (CID 114437934) is 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCC(=O)NC2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is DFZLOANZUXICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(8-16-18)17-9-4-5-11(19)15-7-9/h8-9,17H,2-7H2,1H3,(H,15,19).
What are the key properties of 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 298.77 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114437934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).