1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

C7H8F3N3O — CID 62940594

IUPAC1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C7H8F3N3O/c1-13-3-2-11-5(6(13)14)12-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12)
InChIKeyPSSQRBIHBKUHPG-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.75
Rot. Bonds2

About 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62940594) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62940594
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C7H8F3N3O/c1-13-3-2-11-5(6(13)14)12-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12)
InChIKeyPSSQRBIHBKUHPG-UHFFFAOYSA-N
XLogP0.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62940594) is 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is Cn1ccnc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is PSSQRBIHBKUHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13-3-2-11-5(6(13)14)12-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 207.16 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62940594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).