5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one

C18H12ClF3N2O3 — CID 46172934

IUPAC5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3
InChIKeyRUOGXYMDRVZUKG-UHFFFAOYSA-N
MW396.75 g/mol
LogP4.89
Rot. Bonds4

About 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one

5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one (PubChem CID 46172934) has the molecular formula C18H12ClF3N2O3 and a molecular weight of 396.75 g/mol. Its IUPAC name is 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one
PubChem CID46172934
Molecular FormulaC18H12ClF3N2O3
Molecular Weight396.75 g/mol
Exact Mass396.05
IUPAC Name5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1
InChIInChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3
InChIKeyRUOGXYMDRVZUKG-UHFFFAOYSA-N
XLogP4.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]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 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one (CID 46172934) is 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one is Cc1ccc(-n2ncc(Cl)c(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1.
What is the InChIKey of 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one?
The InChIKey is RUOGXYMDRVZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O3/c1-11-2-4-12(5-3-11)24-17(25)16(15(19)10-23-24)26-13-6-8-14(9-7-13)27-18(20,21)22/h2-10H,1H3.
What are the key properties of 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one?
5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one has a molecular weight of 396.75 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one is sourced from PubChem (CID 46172934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).