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

C11H16F3N3O — CID 55174750

IUPAC1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)17-7-6-16-8(9(17)18)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyYTICLVSPWXBCOG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.36
Rot. Bonds3

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

1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (PubChem CID 55174750) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
PubChem CID55174750
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCC(F)(F)F)c1=O
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)17-7-6-16-8(9(17)18)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyYTICLVSPWXBCOG-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one (CID 55174750) is 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NCCC(F)(F)F)c1=O.
What is the InChIKey of 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
The InChIKey is YTICLVSPWXBCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)17-7-6-16-8(9(17)18)15-5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one?
1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 55174750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).