5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one

C15H25ClN4O — CID 114446592

IUPAC5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(N2CCC(N)C(CC)C2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-5-7-20-15(21)14(16)13(9-18-20)19-8-6-12(17)11(4-2)10-19/h9,11-12H,3-8,10,17H2,1-2H3
InChIKeyLYRKJWZCJBZBHX-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.26
Rot. Bonds5

About 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one

5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one (PubChem CID 114446592) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one.

Molecular Properties

Compound Name5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
PubChem CID114446592
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(N2CCC(N)C(CC)C2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-5-7-20-15(21)14(16)13(9-18-20)19-8-6-12(17)11(4-2)10-19/h9,11-12H,3-8,10,17H2,1-2H3
InChIKeyLYRKJWZCJBZBHX-UHFFFAOYSA-N
XLogP2.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114446590
5-(3-amino-4-methylpiperidin-1-yl)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114445359
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
5-(3-amino-4-methylpyrrolidin-1-yl)-4-bromo-2-butylpyridazin-3-one
CID 103577536
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one?
The IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one (CID 114446592) is 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one.
What is the SMILES notation for 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one?
The canonical SMILES for 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one is CCCCn1ncc(N2CCC(N)C(CC)C2)c(Cl)c1=O.
What is the InChIKey of 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one?
The InChIKey is LYRKJWZCJBZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-3-5-7-20-15(21)14(16)13(9-18-20)19-8-6-12(17)11(4-2)10-19/h9,11-12H,3-8,10,17H2,1-2H3.
What are the key properties of 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one?
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one is sourced from PubChem (CID 114446592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).