4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one

C13H20ClN3O — CID 114439119

IUPAC4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC2CCC(C)C2C)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-4-17-13(18)12(14)11(7-15-17)16-10-6-5-8(2)9(10)3/h7-10,16H,4-6H2,1-3H3
InChIKeyZIRYVMARTGNXGQ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one

4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one (PubChem CID 114439119) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
PubChem CID114439119
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC2CCC(C)C2C)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-4-17-13(18)12(14)11(7-15-17)16-10-6-5-8(2)9(10)3/h7-10,16H,4-6H2,1-3H3
InChIKeyZIRYVMARTGNXGQ-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-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

4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439142
4-chloro-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-ethylpyridazin-3-one
CID 114504703
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439128
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439163
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
CID 114436972
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one (CID 114439119) is 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one is CCn1ncc(NC2CCC(C)C2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one?
The InChIKey is ZIRYVMARTGNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17-13(18)12(14)11(7-15-17)16-10-6-5-8(2)9(10)3/h7-10,16H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one?
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one has a molecular weight of 269.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 114439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).