4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one

C16H26ClN3O — CID 114439073

IUPAC4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCC1CCCC(Nc2cnn(CC(C)C)c(=O)c2Cl)C1
InChIInChI=1S/C16H26ClN3O/c1-4-12-6-5-7-13(8-12)19-14-9-18-20(10-11(2)3)16(21)15(14)17/h9,11-13,19H,4-8,10H2,1-3H3
InChIKeyLNBJXSADLIKIJJ-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.93
Rot. Bonds5

About 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114439073) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114439073
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCC1CCCC(Nc2cnn(CC(C)C)c(=O)c2Cl)C1
InChIInChI=1S/C16H26ClN3O/c1-4-12-6-5-7-13(8-12)19-14-9-18-20(10-11(2)3)16(21)15(14)17/h9,11-13,19H,4-8,10H2,1-3H3
InChIKeyLNBJXSADLIKIJJ-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106258520
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439163
4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106362138
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114445903
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439142
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114432474
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one (CID 114439073) is 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one is CCC1CCCC(Nc2cnn(CC(C)C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is LNBJXSADLIKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-12-6-5-7-13(8-12)19-14-9-18-20(10-11(2)3)16(21)15(14)17/h9,11-13,19H,4-8,10H2,1-3H3.
What are the key properties of 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 311.86 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114439073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).