4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one

C13H21ClN4O2 — CID 106995934

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCOCCn1ncc(NC2CCNC(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9-7-10(3-4-15-9)17-11-8-16-18(5-6-20-2)13(19)12(11)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyKPSJBJTUUJKGSI-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.10
Rot. Bonds5

About 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one (PubChem CID 106995934) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one
PubChem CID106995934
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCOCCn1ncc(NC2CCNC(C)C2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-9-7-10(3-4-15-9)17-11-8-16-18(5-6-20-2)13(19)12(11)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyKPSJBJTUUJKGSI-UHFFFAOYSA-N
XLogP1.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-chloro-4-[(2-methylpiperidin-4-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 106995982
4-chloro-5-[(2-ethylcyclopropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113236547
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395
5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114444847
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439582
4-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114630307
4-chloro-2-(2-methoxyethyl)-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]pyridazin-3-one
CID 104922040
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
4-bromo-5-[(3,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439049
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 106996144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one (CID 106995934) is 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one is COCCn1ncc(NC2CCNC(C)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one?
The InChIKey is KPSJBJTUUJKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-9-7-10(3-4-15-9)17-11-8-16-18(5-6-20-2)13(19)12(11)14/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one has a molecular weight of 300.79 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106995934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).