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

C15H24BrN3O2 — CID 114438394

IUPAC4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCC(C)CC2C)c(Br)c1=O
InChIInChI=1S/C15H24BrN3O2/c1-10-4-5-12(11(2)8-10)18-13-9-17-19(6-7-21-3)15(20)14(13)16/h9-12,18H,4-8H2,1-3H3
InChIKeyPXQZJSQQPHJGIA-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.89
Rot. Bonds5

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

4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114438394) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114438394
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCC(C)CC2C)c(Br)c1=O
InChIInChI=1S/C15H24BrN3O2/c1-10-4-5-12(11(2)8-10)18-13-9-17-19(6-7-21-3)15(20)14(13)16/h9-12,18H,4-8H2,1-3H3
InChIKeyPXQZJSQQPHJGIA-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114504770
4-bromo-5-[(3,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439049
4-bromo-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436041
4-bromo-2-(2-methoxyethyl)-5-(oxan-4-ylamino)pyridazin-3-one
CID 114433735
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586
4-bromo-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114440168
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114442181
4-bromo-2-(2-methoxyethyl)-5-[(1-methylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433463
4-chloro-5-[(2-ethylcyclopropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113236547
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436554
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one (CID 114438394) is 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NC2CCC(C)CC2C)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is PXQZJSQQPHJGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-10-4-5-12(11(2)8-10)18-13-9-17-19(6-7-21-3)15(20)14(13)16/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one?
4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 358.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114438394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).