2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one

C11H16F3N3O — CID 86785752

IUPAC2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H16F3N3O/c1-3-16(4-2)7-8-17-10(18)6-5-9(15-17)11(12,13)14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDKBLYXVCLUAHDI-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one

2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 86785752) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID86785752
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H16F3N3O/c1-3-16(4-2)7-8-17-10(18)6-5-9(15-17)11(12,13)14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDKBLYXVCLUAHDI-UHFFFAOYSA-N
XLogP1.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)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 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one (CID 86785752) is 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one is CCN(CC)CCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is DKBLYXVCLUAHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-16(4-2)7-8-17-10(18)6-5-9(15-17)11(12,13)14/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 263.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 86785752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).