2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N4O3 — CID 80725645

IUPAC2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC2CNCCN2C(=O)C1=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-16-8(19)5-17-4-7-3-15-1-2-18(7)10(21)9(17)20/h7,15H,1-6H2,(H,16,19)
InChIKeyVLUJENRVORYHSN-UHFFFAOYSA-N
MW308.26 g/mol
LogP-1.69
Rot. Bonds3

About 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80725645) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80725645
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CC2CNCCN2C(=O)C1=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-16-8(19)5-17-4-7-3-15-1-2-18(7)10(21)9(17)20/h7,15H,1-6H2,(H,16,19)
InChIKeyVLUJENRVORYHSN-UHFFFAOYSA-N
XLogP-1.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80725645) is 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CC2CNCCN2C(=O)C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VLUJENRVORYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)6-16-8(19)5-17-4-7-3-15-1-2-18(7)10(21)9(17)20/h7,15H,1-6H2,(H,16,19).
What are the key properties of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80725645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).