N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide

C7H6F3N3O — CID 158089201

IUPACN-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6/h2-3H,1H3,(H,12,13,14)
InChIKeyVGJCSDNGFKZIFA-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.45
Rot. Bonds1

About N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide

N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide (PubChem CID 158089201) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
PubChem CID158089201
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC NameN-[3-(trifluoromethyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(F)(F)F
InChIInChI=1S/C7H6F3N3O/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6/h2-3H,1H3,(H,12,13,14)
InChIKeyVGJCSDNGFKZIFA-UHFFFAOYSA-N
XLogP1.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide (CID 158089201) is N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide is CC(=O)Nc1nccnc1C(F)(F)F.
What is the InChIKey of N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
The InChIKey is VGJCSDNGFKZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-4(14)13-6-5(7(8,9)10)11-2-3-12-6/h2-3H,1H3,(H,12,13,14).
What are the key properties of N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide?
N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide has a molecular weight of 205.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 158089201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).