2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide

C8H8BrF3N4O2 — CID 114431775

IUPAC2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide
SMILESNC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C8H8BrF3N4O2/c9-6-4(14-2-5(13)17)1-15-16(7(6)18)3-8(10,11)12/h1,14H,2-3H2,(H2,13,17)
InChIKeyQWCYEVXMNMUMFD-UHFFFAOYSA-N
MW329.08 g/mol
LogP0.47
Rot. Bonds4

About 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide (PubChem CID 114431775) has the molecular formula C8H8BrF3N4O2 and a molecular weight of 329.08 g/mol. Its IUPAC name is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide
PubChem CID114431775
Molecular FormulaC8H8BrF3N4O2
Molecular Weight329.08 g/mol
Exact Mass327.98
IUPAC Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide
SMILESNC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C8H8BrF3N4O2/c9-6-4(14-2-5(13)17)1-15-16(7(6)18)3-8(10,11)12/h1,14H,2-3H2,(H2,13,17)
InChIKeyQWCYEVXMNMUMFD-UHFFFAOYSA-N
XLogP0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide 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-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide?
The IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide (CID 114431775) is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide is NC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide?
The InChIKey is QWCYEVXMNMUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N4O2/c9-6-4(14-2-5(13)17)1-15-16(7(6)18)3-8(10,11)12/h1,14H,2-3H2,(H2,13,17).
What are the key properties of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide?
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide has a molecular weight of 329.08 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]acetamide is sourced from PubChem (CID 114431775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).