1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

C10H14F3N3O — CID 62938432

IUPAC1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-14-8(9(16)17)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyKKYRSKCJWZMORG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one

1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62938432) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62938432
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-14-8(9(16)17)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyKKYRSKCJWZMORG-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62938432) is 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is CC(C)Cn1ccnc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is KKYRSKCJWZMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-14-8(9(16)17)15-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62938432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).