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

C18H16ClN3O — CID 722591

IUPAC4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c19-17-16(20-12-11-14-7-3-1-4-8-14)13-21-22(18(17)23)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2
InChIKeyUDIYZSLVFYXNDP-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.54
Rot. Bonds5

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

4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one (PubChem CID 722591) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one
PubChem CID722591
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O/c19-17-16(20-12-11-14-7-3-1-4-8-14)13-21-22(18(17)23)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2
InChIKeyUDIYZSLVFYXNDP-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-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-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one (CID 722591) is 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one is O=c1c(Cl)c(NCCc2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one?
The InChIKey is UDIYZSLVFYXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-17-16(20-12-11-14-7-3-1-4-8-14)13-21-22(18(17)23)15-9-5-2-6-10-15/h1-10,13,20H,11-12H2.
What are the key properties of 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one?
4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one has a molecular weight of 325.80 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-(2-phenylethylamino)pyridazin-3-one is sourced from PubChem (CID 722591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).