2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide

C8H8F3N3O3 — CID 162567664

IUPAC2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide
SMILESNC(=O)COc1cnn(CC(F)(F)F)c(=O)c1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)4-14-7(16)1-5(2-13-14)17-3-6(12)15/h1-2H,3-4H2,(H2,12,15)
InChIKeyICQZFIAUWFOQEX-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.33
Rot. Bonds4

About 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide

2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide (PubChem CID 162567664) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide.

Molecular Properties

Compound Name2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide
PubChem CID162567664
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide
SMILESNC(=O)COc1cnn(CC(F)(F)F)c(=O)c1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)4-14-7(16)1-5(2-13-14)17-3-6(12)15/h1-2H,3-4H2,(H2,12,15)
InChIKeyICQZFIAUWFOQEX-UHFFFAOYSA-N
XLogP-0.33
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide 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-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide?
The IUPAC name of 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide (CID 162567664) is 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide.
What is the SMILES notation for 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide?
The canonical SMILES for 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide is NC(=O)COc1cnn(CC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide?
The InChIKey is ICQZFIAUWFOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)4-14-7(16)1-5(2-13-14)17-3-6(12)15/h1-2H,3-4H2,(H2,12,15).
What are the key properties of 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide?
2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide has a molecular weight of 251.16 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetamide is sourced from PubChem (CID 162567664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).