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

C9H10BrF3N4O2 — CID 114433002

IUPAC2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C9H10BrF3N4O2/c1-14-6(18)3-15-5-2-16-17(4-9(11,12)13)8(19)7(5)10/h2,15H,3-4H2,1H3,(H,14,18)
InChIKeyAXPDHXUAONZNNW-UHFFFAOYSA-N
MW343.10 g/mol
LogP0.73
Rot. Bonds4

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

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide (PubChem CID 114433002) has the molecular formula C9H10BrF3N4O2 and a molecular weight of 343.10 g/mol. Its IUPAC name is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide
PubChem CID114433002
Molecular FormulaC9H10BrF3N4O2
Molecular Weight343.10 g/mol
Exact Mass341.99
IUPAC Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C9H10BrF3N4O2/c1-14-6(18)3-15-5-2-16-17(4-9(11,12)13)8(19)7(5)10/h2,15H,3-4H2,1H3,(H,14,18)
InChIKeyAXPDHXUAONZNNW-UHFFFAOYSA-N
XLogP0.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide 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]-N-methylacetamide?
The IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide (CID 114433002) is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide is CNC(=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]-N-methylacetamide?
The InChIKey is AXPDHXUAONZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N4O2/c1-14-6(18)3-15-5-2-16-17(4-9(11,12)13)8(19)7(5)10/h2,15H,3-4H2,1H3,(H,14,18).
What are the key properties of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide?
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylacetamide has a molecular weight of 343.10 g/mol, XLogP of 0.73, 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]-N-methylacetamide is sourced from PubChem (CID 114433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).