2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide

C7H8F3N3O2 — CID 134560848

IUPAC2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide
SMILESO=C1CCC(CNC(=O)C(F)(F)F)=NN1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)6(15)11-3-4-1-2-5(14)13-12-4/h1-3H2,(H,11,15)(H,13,14)
InChIKeyZJOJVCDTKOPJGZ-UHFFFAOYSA-N
MW223.15 g/mol
LogP-0.07
Rot. Bonds2

About 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide (PubChem CID 134560848) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide
PubChem CID134560848
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide
SMILESO=C1CCC(CNC(=O)C(F)(F)F)=NN1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)6(15)11-3-4-1-2-5(14)13-12-4/h1-3H2,(H,11,15)(H,13,14)
InChIKeyZJOJVCDTKOPJGZ-UHFFFAOYSA-N
XLogP-0.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide (CID 134560848) is 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide is O=C1CCC(CNC(=O)C(F)(F)F)=NN1.
What is the InChIKey of 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide?
The InChIKey is ZJOJVCDTKOPJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)6(15)11-3-4-1-2-5(14)13-12-4/h1-3H2,(H,11,15)(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide has a molecular weight of 223.15 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 134560848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).