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

C9H10BrF3N4O2 — CID 114433476

IUPAC2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide
SMILESCC(Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(N)=O
InChIInChI=1S/C9H10BrF3N4O2/c1-4(7(14)18)16-5-2-15-17(3-9(11,12)13)8(19)6(5)10/h2,4,16H,3H2,1H3,(H2,14,18)
InChIKeyFFDOCQZCDVBAIY-UHFFFAOYSA-N
MW343.10 g/mol
LogP0.85
Rot. Bonds4

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

2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide (PubChem CID 114433476) 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]propanamide.

Molecular Properties

Compound Name2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide
PubChem CID114433476
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]propanamide
SMILESCC(Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(N)=O
InChIInChI=1S/C9H10BrF3N4O2/c1-4(7(14)18)16-5-2-15-17(3-9(11,12)13)8(19)6(5)10/h2,4,16H,3H2,1H3,(H2,14,18)
InChIKeyFFDOCQZCDVBAIY-UHFFFAOYSA-N
XLogP0.85
TPSA90.01 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 ≤ 50.85
H-Bond Donors ≤ 52
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]propanamide?
The IUPAC name of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide (CID 114433476) is 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide is CC(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]propanamide?
The InChIKey is FFDOCQZCDVBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N4O2/c1-4(7(14)18)16-5-2-15-17(3-9(11,12)13)8(19)6(5)10/h2,4,16H,3H2,1H3,(H2,14,18).
What are the key properties of 2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide?
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide has a molecular weight of 343.10 g/mol, XLogP of 0.85, 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]propanamide is sourced from PubChem (CID 114433476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).