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

C11H14ClF3N4O2 — CID 114434096

IUPAC3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C11H14ClF3N4O2/c1-18(2)8(20)3-4-16-7-5-17-19(6-11(13,14)15)10(21)9(7)12/h5,16H,3-4,6H2,1-2H3
InChIKeyCZQCUBYAMPZWDF-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.35
Rot. Bonds5

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

3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 114434096) 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]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID114434096
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]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C11H14ClF3N4O2/c1-18(2)8(20)3-4-16-7-5-17-19(6-11(13,14)15)10(21)9(7)12/h5,16H,3-4,6H2,1-2H3
InChIKeyCZQCUBYAMPZWDF-UHFFFAOYSA-N
XLogP1.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
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]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide (CID 114434096) is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is CZQCUBYAMPZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-18(2)8(20)3-4-16-7-5-17-19(6-11(13,14)15)10(21)9(7)12/h5,16H,3-4,6H2,1-2H3.
What are the key properties of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 326.71 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 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]-N,N-dimethylpropanamide is sourced from PubChem (CID 114434096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).