1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one

C10H14F3N3O — CID 63226730

IUPAC1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-7(2)16-6-5-15-8(9(16)17)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyWRQIGOPJZBTACC-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.19
Rot. Bonds4

About 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one

1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (PubChem CID 63226730) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
PubChem CID63226730
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCC(C)n1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-7(2)16-6-5-15-8(9(16)17)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyWRQIGOPJZBTACC-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
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-Ethyl-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015091
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
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
1-Ethyl-3-(2-methylpropylamino)pyrazin-2-one
CID 53015100
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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (CID 63226730) is 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is CC(C)n1ccnc(NCCC(F)(F)F)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The InChIKey is WRQIGOPJZBTACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)16-6-5-15-8(9(16)17)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one has a molecular weight of 249.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 63226730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).