4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one

C16H16Cl2N2O3 — CID 143725573

IUPAC4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
SMILESCC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3
InChIKeyAMGGWHJYJFEUHO-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.63
Rot. Bonds4

About 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one

4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one (PubChem CID 143725573) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
PubChem CID143725573
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
SMILESCC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3
InChIKeyAMGGWHJYJFEUHO-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one (CID 143725573) is 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one is CC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The InChIKey is AMGGWHJYJFEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3.
What are the key properties of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one has a molecular weight of 355.22 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 143725573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).