4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one

C14H23ClN4O — CID 114445120

IUPAC4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)C2CCCNC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-3-8-19-14(20)13(15)12(10-17-19)18(4-2)11-6-5-7-16-9-11/h10-11,16H,3-9H2,1-2H3
InChIKeyPDWTWGWPYWBKSH-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one

4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one (PubChem CID 114445120) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
PubChem CID114445120
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)C2CCCNC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-3-8-19-14(20)13(15)12(10-17-19)18(4-2)11-6-5-7-16-9-11/h10-11,16H,3-9H2,1-2H3
InChIKeyPDWTWGWPYWBKSH-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229
4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445107
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445081
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
methyl 2-[4-[azetidin-3-yl(ethyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114446007
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 114446401
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one (CID 114445120) is 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one is CCCn1ncc(N(CC)C2CCCNC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one?
The InChIKey is PDWTWGWPYWBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-3-8-19-14(20)13(15)12(10-17-19)18(4-2)11-6-5-7-16-9-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one?
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one has a molecular weight of 298.82 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).