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

C8H10F3N3O — CID 62938254

IUPAC1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O/c1-2-14-4-3-12-6(7(14)15)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyZTGGGGSDAAXZSH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.24
Rot. Bonds3

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

1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62938254) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62938254
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O/c1-2-14-4-3-12-6(7(14)15)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyZTGGGGSDAAXZSH-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015091
1-Ethyl-3-[(propan-2-yl)amino]-1,2-dihydropyrazin-2-one
CID 53015095
4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
CID 71857665
N-[2-[ethyl-(5-fluoro-2-oxo-1H-pyrazin-3-yl)amino]ethyl]formamide
CID 175389080
1-Tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174750
1-Propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174947
1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938252
1-Cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938253
1-Propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938255
1-(2-Methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938432
1-Tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
1-Methyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62940594

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62938254) is 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is CCn1ccnc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is ZTGGGGSDAAXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-14-4-3-12-6(7(14)15)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62938254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).