3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one

C6H5F3N2O — CID 173378793

IUPAC3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1nc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C6H5F3N2O/c1-3-5(12)10-2-4(11-3)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyLSKUOSJYHLONQU-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.10
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one

3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 173378793) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID173378793
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1nc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C6H5F3N2O/c1-3-5(12)10-2-4(11-3)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyLSKUOSJYHLONQU-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-(trifluoromethyl)-1H-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 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one (CID 173378793) is 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one is Cc1nc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is LSKUOSJYHLONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-3-5(12)10-2-4(11-3)6(7,8)9/h2H,1H3,(H,10,12).
What are the key properties of 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one?
3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one has a molecular weight of 178.11 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 173378793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).