1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one

C11H14F3N3O — CID 113327790

IUPAC1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one
SMILESO=c1c(NCCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-5-15-9-10(18)17(7-6-16-9)8-2-3-8/h6-8H,1-5H2,(H,15,16)
InChIKeyWXGSTEXLRAWWGN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.33
Rot. Bonds5

About 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one

1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one (PubChem CID 113327790) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one
PubChem CID113327790
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one
SMILESO=c1c(NCCCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-5-15-9-10(18)17(7-6-16-9)8-2-3-8/h6-8H,1-5H2,(H,15,16)
InChIKeyWXGSTEXLRAWWGN-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclopropylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015098
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
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
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-Ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938254
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one (CID 113327790) is 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one is O=c1c(NCCCC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one?
The InChIKey is WXGSTEXLRAWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)4-1-5-15-9-10(18)17(7-6-16-9)8-2-3-8/h6-8H,1-5H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one?
1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one has a molecular weight of 261.25 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,4,4-trifluorobutylamino)pyrazin-2-one is sourced from PubChem (CID 113327790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).