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

C9H10ClF3N4O2 — CID 114433570

IUPAC3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C9H10ClF3N4O2/c10-7-5(15-2-1-6(14)18)3-16-17(8(7)19)4-9(11,12)13/h3,15H,1-2,4H2,(H2,14,18)
InChIKeyFCCGPTZGMVRDFV-UHFFFAOYSA-N
MW298.65 g/mol
LogP0.75
Rot. Bonds5

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

3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide (PubChem CID 114433570) has the molecular formula C9H10ClF3N4O2 and a molecular weight of 298.65 g/mol. Its IUPAC name is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide
PubChem CID114433570
Molecular FormulaC9H10ClF3N4O2
Molecular Weight298.65 g/mol
Exact Mass298.04
IUPAC Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C9H10ClF3N4O2/c10-7-5(15-2-1-6(14)18)3-16-17(8(7)19)4-9(11,12)13/h3,15H,1-2,4H2,(H2,14,18)
InChIKeyFCCGPTZGMVRDFV-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 50.75
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]propanamide?
The IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide (CID 114433570) is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide is NC(=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]propanamide?
The InChIKey is FCCGPTZGMVRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O2/c10-7-5(15-2-1-6(14)18)3-16-17(8(7)19)4-9(11,12)13/h3,15H,1-2,4H2,(H2,14,18).
What are the key properties of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide?
3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanamide has a molecular weight of 298.65 g/mol, XLogP of 0.75, 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]propanamide is sourced from PubChem (CID 114433570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).