5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one

C15H15ClFN3O2 — CID 133330352

IUPAC5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one
SMILESCC1CN(c2cn[nH]c(=O)c2Cl)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H15ClFN3O2/c1-9-7-20(12-6-18-19-15(21)14(12)16)8-13(22-9)10-2-4-11(17)5-3-10/h2-6,9,13H,7-8H2,1H3,(H,19,21)
InChIKeyVXAVJHADJMSWMY-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.53
Rot. Bonds2

About 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one

5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one (PubChem CID 133330352) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one
PubChem CID133330352
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one
SMILESCC1CN(c2cn[nH]c(=O)c2Cl)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H15ClFN3O2/c1-9-7-20(12-6-18-19-15(21)14(12)16)8-13(22-9)10-2-4-11(17)5-3-10/h2-6,9,13H,7-8H2,1H3,(H,19,21)
InChIKeyVXAVJHADJMSWMY-UHFFFAOYSA-N
XLogP2.53
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-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 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one (CID 133330352) is 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one is CC1CN(c2cn[nH]c(=O)c2Cl)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one?
The InChIKey is VXAVJHADJMSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-9-7-20(12-6-18-19-15(21)14(12)16)8-13(22-9)10-2-4-11(17)5-3-10/h2-6,9,13H,7-8H2,1H3,(H,19,21).
What are the key properties of 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one?
5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one has a molecular weight of 323.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 133330352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).