3-(trifluoromethyl)-1H-pyrazin-2-one

C5H3F3N2O — CID 46205927

IUPAC3-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H,(H,10,11)
InChIKeyMUXLIYAYELKHKS-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.79
Rot. Bonds

About 3-(trifluoromethyl)-1H-pyrazin-2-one

3-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 46205927) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID46205927
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name3-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H,(H,10,11)
InChIKeyMUXLIYAYELKHKS-UHFFFAOYSA-N
XLogP0.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(trifluoromethyl)-1H-pyrazin-2-one (CID 46205927) is 3-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-1H-pyrazin-2-one is O=c1[nH]ccnc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is MUXLIYAYELKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H,(H,10,11).
What are the key properties of 3-(trifluoromethyl)-1H-pyrazin-2-one?
3-(trifluoromethyl)-1H-pyrazin-2-one has a molecular weight of 164.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 46205927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).