4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one

C15H24ClN3O2 — CID 115693522

IUPAC4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCCCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O2/c1-15(2)7-5-4-6-12(15)18-11-10-17-19(8-9-21-3)14(20)13(11)16/h10,12,18H,4-9H2,1-3H3
InChIKeyZUDYRDWNOGAIAA-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.92
Rot. Bonds5

About 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 115693522) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID115693522
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCCCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O2/c1-15(2)7-5-4-6-12(15)18-11-10-17-19(8-9-21-3)14(20)13(11)16/h10,12,18H,4-9H2,1-3H3
InChIKeyZUDYRDWNOGAIAA-UHFFFAOYSA-N
XLogP2.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440175
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
4-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114630307
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-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115899027
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440166
4-chloro-5-[(2-ethylcyclopropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113236547
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
CID 114436613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one (CID 115693522) is 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NC2CCCCC2(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is ZUDYRDWNOGAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-15(2)7-5-4-6-12(15)18-11-10-17-19(8-9-21-3)14(20)13(11)16/h10,12,18H,4-9H2,1-3H3.
What are the key properties of 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 313.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115693522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).