3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

C14H14F3N3O2 — CID 70599674

About 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 70599674) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• PubChem CID: 70599674
• Molecular Formula: C14H14F3N3O2
• Molecular Weight: 313.28 g/mol
• Exact Mass: 313.10
• IUPAC Name: 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• SMILES: CC1CC(=O)NN=C1c1ccc(NC(=O)CC(F)(F)F)cc1
• InChI: InChI=1S/C14H14F3N3O2/c1-8-6-11(21)19-20-13(8)9-2-4-10(5-3-9)18-12(22)7-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,21)
• InChIKey: RUTVWMVVJCODTL-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.28
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 70599674) is 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is CC1CC(=O)NN=C1c1ccc(NC(=O)CC(F)(F)F)cc1.

What is the InChIKey of 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The InChIKey is RUTVWMVVJCODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-6-11(21)19-20-13(8)9-2-4-10(5-3-9)18-12(22)7-14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,21).

What are the key properties of 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 313.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 70599674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).