2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one

C18H16ClN3O — CID 23647371

IUPAC2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCc1ccccc1CNc1ccc(=O)n(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-13-6-2-3-7-14(13)12-20-17-10-11-18(23)22(21-17)16-9-5-4-8-15(16)19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyCJBZRUKFWKFMPF-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one

2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one (PubChem CID 23647371) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one
PubChem CID23647371
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCc1ccccc1CNc1ccc(=O)n(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O/c1-13-6-2-3-7-14(13)12-20-17-10-11-18(23)22(21-17)16-9-5-4-8-15(16)19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyCJBZRUKFWKFMPF-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one (CID 23647371) is 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one is Cc1ccccc1CNc1ccc(=O)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one?
The InChIKey is CJBZRUKFWKFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-6-2-3-7-14(13)12-20-17-10-11-18(23)22(21-17)16-9-5-4-8-15(16)19/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one?
2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one has a molecular weight of 325.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 23647371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).