1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one

C11H7F3N2O2 — CID 3790676

IUPAC1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESO=c1cnc(-c2ccc(C(F)(F)F)cc2)cn1O
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-1-7(2-4-8)9-6-16(18)10(17)5-15-9/h1-6,18H
InChIKeyNMGDAQDEPLLVJX-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.17
Rot. Bonds1

About 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one

1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one (PubChem CID 3790676) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
PubChem CID3790676
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESO=c1cnc(-c2ccc(C(F)(F)F)cc2)cn1O
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-1-7(2-4-8)9-6-16(18)10(17)5-15-9/h1-6,18H
InChIKeyNMGDAQDEPLLVJX-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The IUPAC name of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one (CID 3790676) is 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one.
What is the SMILES notation for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The canonical SMILES for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one is O=c1cnc(-c2ccc(C(F)(F)F)cc2)cn1O.
What is the InChIKey of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The InChIKey is NMGDAQDEPLLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-1-7(2-4-8)9-6-16(18)10(17)5-15-9/h1-6,18H.
What are the key properties of 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one has a molecular weight of 256.18 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one is sourced from PubChem (CID 3790676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).