2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C8H8F3N3O — CID 64592057

IUPAC2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O/c1-5-2-13-6(3-12-5)4-14-7(15)8(9,10)11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyURWYLMFAAGCZGK-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.96
Rot. Bonds2

About 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 64592057) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID64592057
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O/c1-5-2-13-6(3-12-5)4-14-7(15)8(9,10)11/h2-3H,4H2,1H3,(H,14,15)
InChIKeyURWYLMFAAGCZGK-UHFFFAOYSA-N
XLogP0.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 64592057) is 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is URWYLMFAAGCZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5-2-13-6(3-12-5)4-14-7(15)8(9,10)11/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 219.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 64592057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).