4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one

C13H21ClN4O — CID 106643487

IUPAC4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
SMILESCCN(CC1CCCNC1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-3-18(9-10-5-4-6-15-7-10)11-8-16-17(2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3
InChIKeyGCPQHOCAAFEZDW-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.26
Rot. Bonds4

About 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one

4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one (PubChem CID 106643487) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
PubChem CID106643487
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
SMILESCCN(CC1CCCNC1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-3-18(9-10-5-4-6-15-7-10)11-8-16-17(2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3
InChIKeyGCPQHOCAAFEZDW-UHFFFAOYSA-N
XLogP1.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one
CID 133271829
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 106643837
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one (CID 106643487) is 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one is CCN(CC1CCCNC1)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one?
The InChIKey is GCPQHOCAAFEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-18(9-10-5-4-6-15-7-10)11-8-16-17(2)13(19)12(11)14/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.26, 4 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-ylmethyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 106643487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).