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

C9H12F3N3O4S — CID 15130034

IUPAC8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(S(=O)(=O)C(F)(F)F)CC2C1=O
InChIInChI=1S/C9H12F3N3O4S/c1-13-5-7(16)15-3-2-14(4-6(15)8(13)17)20(18,19)9(10,11)12/h6H,2-5H2,1H3
InChIKeyNQHGQTIGHOWTFR-UHFFFAOYSA-N
MW315.27 g/mol
LogP-1.18
Rot. Bonds1

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

8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 15130034) has the molecular formula C9H12F3N3O4S and a molecular weight of 315.27 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID15130034
Molecular FormulaC9H12F3N3O4S
Molecular Weight315.27 g/mol
Exact Mass315.05
IUPAC Name8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(S(=O)(=O)C(F)(F)F)CC2C1=O
InChIInChI=1S/C9H12F3N3O4S/c1-13-5-7(16)15-3-2-14(4-6(15)8(13)17)20(18,19)9(10,11)12/h6H,2-5H2,1H3
InChIKeyNQHGQTIGHOWTFR-UHFFFAOYSA-N
XLogP-1.18
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9aR)-2-(4-chlorophenyl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56858855
2-(trifluoromethylsulfonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 15130033
(9aR)-2-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95143677
(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95140351
2-(cyclohexanecarbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 73134658
8-amino-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 82398958
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
CID 145285160
(9aS)-2-[2-(1-adamantyl)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95121440
(9aR)-2-(4-chlorobenzoyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56854909
(9aR)-2-[(E)-hex-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95124514
(9aS)-2-[2-(4-fluorophenoxy)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 125166210
(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 97200642

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 15130034) is 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CC(=O)N2CCN(S(=O)(=O)C(F)(F)F)CC2C1=O.
What is the InChIKey of 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is NQHGQTIGHOWTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4S/c1-13-5-7(16)15-3-2-14(4-6(15)8(13)17)20(18,19)9(10,11)12/h6H,2-5H2,1H3.
What are the key properties of 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 315.27 g/mol, XLogP of -1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 15130034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).