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

C10H12BrF3N4O2 — CID 114434933

IUPAC2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide
SMILESCC(C)(Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(N)=O
InChIInChI=1S/C10H12BrF3N4O2/c1-9(2,8(15)20)17-5-3-16-18(4-10(12,13)14)7(19)6(5)11/h3,17H,4H2,1-2H3,(H2,15,20)
InChIKeyPFMGBAXGLVVZLH-UHFFFAOYSA-N
MW357.13 g/mol
LogP1.24
Rot. Bonds4

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

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide (PubChem CID 114434933) 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]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide
PubChem CID114434933
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]-2-methylpropanamide
SMILESCC(C)(Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(N)=O
InChIInChI=1S/C10H12BrF3N4O2/c1-9(2,8(15)20)17-5-3-16-18(4-10(12,13)14)7(19)6(5)11/h3,17H,4H2,1-2H3,(H2,15,20)
InChIKeyPFMGBAXGLVVZLH-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide with MolForge

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Related Compounds

methyl 2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114434936
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
4-bromo-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 107866033
ethyl 3-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate
CID 114436684
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337788
4-bromo-5-(6-hydroxyhexylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 107850388
N-[2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433499
4-bromo-5-(4-methylsulfanylbutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442609
5-(benzylamino)-4-bromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432047
4-bromo-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437286
4-bromo-5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439191
4-bromo-5-[(1-methylpyrrolidin-2-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 106027126

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide (CID 114434933) is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide is CC(C)(Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(N)=O.
What is the InChIKey of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide?
The InChIKey is PFMGBAXGLVVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N4O2/c1-9(2,8(15)20)17-5-3-16-18(4-10(12,13)14)7(19)6(5)11/h3,17H,4H2,1-2H3,(H2,15,20).
What are the key properties of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide?
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide has a molecular weight of 357.13 g/mol, XLogP of 1.24, 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]-2-methylpropanamide is sourced from PubChem (CID 114434933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).