5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one

C11H9Cl2N3O — CID 734447

IUPAC5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)5-14-9-6-15-16-11(17)10(9)13/h1-4,6H,5H2,(H2,14,16,17)
InChIKeyMGWLJDLNYXBQMR-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.69
Rot. Bonds3

About 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one (PubChem CID 734447) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one
PubChem CID734447
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)5-14-9-6-15-16-11(17)10(9)13/h1-4,6H,5H2,(H2,14,16,17)
InChIKeyMGWLJDLNYXBQMR-UHFFFAOYSA-N
XLogP2.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one (CID 734447) is 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NCc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is MGWLJDLNYXBQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)5-14-9-6-15-16-11(17)10(9)13/h1-4,6H,5H2,(H2,14,16,17).
What are the key properties of 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 270.12 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-chlorophenyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 734447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).