1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one

C8H9F3N2O — CID 68865045

IUPAC1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one
SMILESCC(Cn1ccncc1=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-6(8(9,10)11)5-13-3-2-12-4-7(13)14/h2-4,6H,5H2,1H3
InChIKeyUCGMRHJPDNADLT-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.44
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one

1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one (PubChem CID 68865045) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one
PubChem CID68865045
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one
SMILESCC(Cn1ccncc1=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-6(8(9,10)11)5-13-3-2-12-4-7(13)14/h2-4,6H,5H2,1H3
InChIKeyUCGMRHJPDNADLT-UHFFFAOYSA-N
XLogP1.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one?
The IUPAC name of 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one (CID 68865045) is 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one is CC(Cn1ccncc1=O)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one?
The InChIKey is UCGMRHJPDNADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-6(8(9,10)11)5-13-3-2-12-4-7(13)14/h2-4,6H,5H2,1H3.
What are the key properties of 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one?
1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 68865045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).