3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide

C11H14ClF3N4O2 — CID 106277739

IUPAC3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cnn(CC(F)(F)F)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C11H14ClF3N4O2/c1-10(2,9(16)21)4-17-6-3-18-19(5-11(13,14)15)8(20)7(6)12/h3,17H,4-5H2,1-2H3,(H2,16,21)
InChIKeyVSPIEXQGZMEKBB-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.38
Rot. Bonds5

About 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide

3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106277739) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106277739
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cnn(CC(F)(F)F)c(=O)c1Cl)C(N)=O
InChIInChI=1S/C11H14ClF3N4O2/c1-10(2,9(16)21)4-17-6-3-18-19(5-11(13,14)15)8(20)7(6)12/h3,17H,4-5H2,1-2H3,(H2,16,21)
InChIKeyVSPIEXQGZMEKBB-UHFFFAOYSA-N
XLogP1.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide (CID 106277739) is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide is CC(C)(CNc1cnn(CC(F)(F)F)c(=O)c1Cl)C(N)=O.
What is the InChIKey of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is VSPIEXQGZMEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-10(2,9(16)21)4-17-6-3-18-19(5-11(13,14)15)8(20)7(6)12/h3,17H,4-5H2,1-2H3,(H2,16,21).
What are the key properties of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 326.71 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106277739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).