4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one

C15H24ClN3O — CID 114438468

IUPAC4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)C2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-10(2)9-19-15(20)14(16)13(8-17-19)18-11(3)12-6-4-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyBYZAEMMFPIDMBL-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114438468) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114438468
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(C)C2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-10(2)9-19-15(20)14(16)13(8-17-19)18-11(3)12-6-4-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyBYZAEMMFPIDMBL-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114445903
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439073
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114438468) is 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC(C)C2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is BYZAEMMFPIDMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10(2)9-19-15(20)14(16)13(8-17-19)18-11(3)12-6-4-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3.
What are the key properties of 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114438468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).