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

C9H10F3N3O — CID 62938253

IUPAC1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESO=c1c(NCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-14-7-8(16)15(4-3-13-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyHSNMRACPDSZCHB-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.55
Rot. Bonds3

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

1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (PubChem CID 62938253) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
PubChem CID62938253
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
SMILESO=c1c(NCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-14-7-8(16)15(4-3-13-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyHSNMRACPDSZCHB-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one (CID 62938253) is 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is O=c1c(NCC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
The InChIKey is HSNMRACPDSZCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)5-14-7-8(16)15(4-3-13-7)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one?
1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one has a molecular weight of 233.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one is sourced from PubChem (CID 62938253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).