1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

C10H14F3N3O — CID 62938433

IUPAC1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-9(2,3)16-5-4-14-7(8(16)17)15-6-10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZXJNGMZQNDWXDM-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.97
Rot. Bonds2

About 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62938433) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62938433
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-9(2,3)16-5-4-14-7(8(16)17)15-6-10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZXJNGMZQNDWXDM-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
3-[(4-aminophenyl)methylamino]-1-tert-butylpyrazin-2-one
CID 62929541
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
CID 62927934
3-[(2-amino-2-cyclopropylethyl)amino]-1-tert-butylpyrazin-2-one
CID 55243356

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62938433) is 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is ZXJNGMZQNDWXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-9(2,3)16-5-4-14-7(8(16)17)15-6-10(11,12)13/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62938433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).