1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one

C11H16F3N3O — CID 113327814

IUPAC1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O/c1-2-17-8-7-16-9(10(17)18)15-6-4-3-5-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLRGIGSFBTLMHFZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.41
Rot. Bonds6

About 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one

1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one (PubChem CID 113327814) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
PubChem CID113327814
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O/c1-2-17-8-7-16-9(10(17)18)15-6-4-3-5-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLRGIGSFBTLMHFZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.41
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-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-Ethyl-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015091
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
1-Ethyl-3-(2-methylpropylamino)pyrazin-2-one
CID 53015100
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096
4,4,4-trifluoro-N-(4-methyl-3-oxopyrazin-2-yl)butanamide
CID 71857665
5-Amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
CID 171484623
1-Tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174750

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one (CID 113327814) is 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one is CCn1ccnc(NCCCCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
The InChIKey is LRGIGSFBTLMHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-17-8-7-16-9(10(17)18)15-6-4-3-5-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one?
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one is sourced from PubChem (CID 113327814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).