4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one

C13H21ClN4O — CID 114434740

IUPAC4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCCN1CCC(Nc2cnn(CC)c(=O)c2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-3-17-7-5-10(6-8-17)16-11-9-15-18(4-2)13(19)12(11)14/h9-10,16H,3-8H2,1-2H3
InChIKeyOJQHLKXDSPHAHT-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.81
Rot. Bonds4

About 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one

4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one (PubChem CID 114434740) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
PubChem CID114434740
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCCN1CCC(Nc2cnn(CC)c(=O)c2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-3-17-7-5-10(6-8-17)16-11-9-15-18(4-2)13(19)12(11)14/h9-10,16H,3-8H2,1-2H3
InChIKeyOJQHLKXDSPHAHT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
CID 114436972
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
CID 114439119
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-bromo-5-[(1-ethylpiperidin-4-yl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434748
4-chloro-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-ethylpyridazin-3-one
CID 114504703
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one (CID 114434740) is 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one is CCN1CCC(Nc2cnn(CC)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one?
The InChIKey is OJQHLKXDSPHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-17-7-5-10(6-8-17)16-11-9-15-18(4-2)13(19)12(11)14/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one?
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114434740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).