2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one

C17H14ClN3O — CID 59849727

IUPAC2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
SMILESNc1cccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C17H14ClN3O/c18-14-6-4-13(5-7-14)16-8-9-17(22)21(20-16)11-12-2-1-3-15(19)10-12/h1-10H,11,19H2
InChIKeyFJKMJIFPJMIHHL-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.19
Rot. Bonds3

About 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one

2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one (PubChem CID 59849727) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
PubChem CID59849727
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
SMILESNc1cccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C17H14ClN3O/c18-14-6-4-13(5-7-14)16-8-9-17(22)21(20-16)11-12-2-1-3-15(19)10-12/h1-10H,11,19H2
InChIKeyFJKMJIFPJMIHHL-UHFFFAOYSA-N
XLogP3.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one (CID 59849727) is 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one is Nc1cccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is FJKMJIFPJMIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-6-4-13(5-7-14)16-8-9-17(22)21(20-16)11-12-2-1-3-15(19)10-12/h1-10H,11,19H2.
What are the key properties of 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one?
2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 311.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 59849727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).