5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one

C13H21ClN4O — CID 114446594

IUPAC5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
SMILESCCC1CN(c2cnn(CC)c(=O)c2Cl)CCC1N
InChIInChI=1S/C13H21ClN4O/c1-3-9-8-17(6-5-10(9)15)11-7-16-18(4-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyNFSNPZSXSMHPQY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.48
Rot. Bonds3

About 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one

5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one (PubChem CID 114446594) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
PubChem CID114446594
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
SMILESCCC1CN(c2cnn(CC)c(=O)c2Cl)CCC1N
InChIInChI=1S/C13H21ClN4O/c1-3-9-8-17(6-5-10(9)15)11-7-16-18(4-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyNFSNPZSXSMHPQY-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549177
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601
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-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
CID 81460923
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114443792
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
5-(4-aminopiperidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114443570
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
CID 19245616

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one?
The IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one (CID 114446594) is 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one?
The canonical SMILES for 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one is CCC1CN(c2cnn(CC)c(=O)c2Cl)CCC1N.
What is the InChIKey of 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one?
The InChIKey is NFSNPZSXSMHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-9-8-17(6-5-10(9)15)11-7-16-18(4-2)13(19)12(11)14/h7,9-10H,3-6,8,15H2,1-2H3.
What are the key properties of 5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one?
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.48, 3 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)-4-chloro-2-ethylpyridazin-3-one is sourced from PubChem (CID 114446594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).