4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one

C15H15ClF3N3O — CID 2742924

IUPAC4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(-c2ccc(C(F)(F)F)cc2)c(=O)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-3-21(4-2)12-9-20-22(14(23)13(12)16)11-7-5-10(6-8-11)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyUWRKOPZPSKXQLM-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one

4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 2742924) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID2742924
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(-c2ccc(C(F)(F)F)cc2)c(=O)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-3-21(4-2)12-9-20-22(14(23)13(12)16)11-7-5-10(6-8-11)15(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyUWRKOPZPSKXQLM-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]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-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one (CID 2742924) is 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one is CCN(CC)c1cnn(-c2ccc(C(F)(F)F)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is UWRKOPZPSKXQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-3-21(4-2)12-9-20-22(14(23)13(12)16)11-7-5-10(6-8-11)15(17,18)19/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 345.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(diethylamino)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 2742924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).