5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one

C5H5F3N2O — CID 46928352

IUPAC5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H2,(H,10,11)
InChIKeyHEPMJPOMKIRJCS-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.12
Rot. Bonds

About 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one

5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 46928352) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID46928352
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H2,(H,10,11)
InChIKeyHEPMJPOMKIRJCS-UHFFFAOYSA-N
XLogP0.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one (CID 46928352) is 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is HEPMJPOMKIRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)3-4(11)10-2-1-9-3/h1-2H2,(H,10,11).
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 166.10 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 46928352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).