3,3,3-trifluoro-N-pyrazin-2-ylpropanamide

C7H6F3N3O — CID 86794698

IUPAC3,3,3-trifluoro-N-pyrazin-2-ylpropanamide
SMILESO=C(CC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)3-6(14)13-5-4-11-1-2-12-5/h1-2,4H,3H2,(H,12,13,14)
InChIKeyHKFJLGVTNYYDAY-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.37
Rot. Bonds2

About 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide

3,3,3-trifluoro-N-pyrazin-2-ylpropanamide (PubChem CID 86794698) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-pyrazin-2-ylpropanamide
PubChem CID86794698
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name3,3,3-trifluoro-N-pyrazin-2-ylpropanamide
SMILESO=C(CC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)3-6(14)13-5-4-11-1-2-12-5/h1-2,4H,3H2,(H,12,13,14)
InChIKeyHKFJLGVTNYYDAY-UHFFFAOYSA-N
XLogP1.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide (CID 86794698) is 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide is O=C(CC(F)(F)F)Nc1cnccn1.
What is the InChIKey of 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide?
The InChIKey is HKFJLGVTNYYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)3-6(14)13-5-4-11-1-2-12-5/h1-2,4H,3H2,(H,12,13,14).
What are the key properties of 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide?
3,3,3-trifluoro-N-pyrazin-2-ylpropanamide has a molecular weight of 205.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 86794698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).