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

C15H24ClN3O — CID 114434019

IUPAC4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyXRFDDPFGPAQEBQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.54
Rot. Bonds6

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

4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114434019) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114434019
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyXRFDDPFGPAQEBQ-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973422
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114445903
4-chloro-5-(2-cyclopropylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439470
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114434019) is 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCCC2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is XRFDDPFGPAQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)10-19-15(20)14(16)13(9-18-19)17-8-7-12-5-3-4-6-12/h9,11-12,17H,3-8,10H2,1-2H3.
What are the key properties of 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).