8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C12H16F3N3O3 — CID 131890817

IUPAC8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(C(=O)CCC(F)(F)F)CC2C1=O
InChIInChI=1S/C12H16F3N3O3/c1-16-7-10(20)18-5-4-17(6-8(18)11(16)21)9(19)2-3-12(13,14)15/h8H,2-7H2,1H3
InChIKeyNWRIGHHVYVOBNL-UHFFFAOYSA-N
MW307.27 g/mol
LogP-0.16
Rot. Bonds2

About 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 131890817) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID131890817
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(C(=O)CCC(F)(F)F)CC2C1=O
InChIInChI=1S/C12H16F3N3O3/c1-16-7-10(20)18-5-4-17(6-8(18)11(16)21)9(19)2-3-12(13,14)15/h8H,2-7H2,1H3
InChIKeyNWRIGHHVYVOBNL-UHFFFAOYSA-N
XLogP-0.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 131890817) is 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CC(=O)N2CCN(C(=O)CCC(F)(F)F)CC2C1=O.
What is the InChIKey of 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is NWRIGHHVYVOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-16-7-10(20)18-5-4-17(6-8(18)11(16)21)9(19)2-3-12(13,14)15/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 307.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4,4,4-trifluorobutanoyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 131890817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).