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

C16H20ClN3O — CID 114432372

IUPAC4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-12(2)11-20-16(21)15(17)14(10-19-20)18-9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyXFDTYWUAYGINAT-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.21
Rot. Bonds6

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

4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one (PubChem CID 114432372) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
PubChem CID114432372
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-12(2)11-20-16(21)15(17)14(10-19-20)18-9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyXFDTYWUAYGINAT-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
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
4-chloro-2-(2-methylpropyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107489264
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one (CID 114432372) is 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one is CC(C)Cn1ncc(NCCc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one?
The InChIKey is XFDTYWUAYGINAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(2)11-20-16(21)15(17)14(10-19-20)18-9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one is sourced from PubChem (CID 114432372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).