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

C6H5F3N2O — CID 173378977

IUPAC6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1cnc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O/c1-3-2-10-4(5(12)11-3)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyMZKDGRMUCSFUDJ-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.10
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one

6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 173378977) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID173378977
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1cnc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O/c1-3-2-10-4(5(12)11-3)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyMZKDGRMUCSFUDJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one (CID 173378977) is 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one is Cc1cnc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is MZKDGRMUCSFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-3-2-10-4(5(12)11-3)6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one?
6-methyl-3-(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 6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 173378977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).