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

C10H12BrF3N4O2 — CID 114433020

IUPAC2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C10H12BrF3N4O2/c1-17(2)7(19)4-15-6-3-16-18(5-10(12,13)14)9(20)8(6)11/h3,15H,4-5H2,1-2H3
InChIKeyJENIEKRAWOASGF-UHFFFAOYSA-N
MW357.13 g/mol
LogP1.07
Rot. Bonds4

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

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 114433020) has the molecular formula C10H12BrF3N4O2 and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID114433020
Molecular FormulaC10H12BrF3N4O2
Molecular Weight357.13 g/mol
Exact Mass356.01
IUPAC Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cnn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C10H12BrF3N4O2/c1-17(2)7(19)4-15-6-3-16-18(5-10(12,13)14)9(20)8(6)11/h3,15H,4-5H2,1-2H3
InChIKeyJENIEKRAWOASGF-UHFFFAOYSA-N
XLogP1.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide (CID 114433020) is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide is CN(C)C(=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,N-dimethylacetamide?
The InChIKey is JENIEKRAWOASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N4O2/c1-17(2)7(19)4-15-6-3-16-18(5-10(12,13)14)9(20)8(6)11/h3,15H,4-5H2,1-2H3.
What are the key properties of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide?
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 357.13 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 114433020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).