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

C12H21N3O2 — CID 56860059

IUPAC(9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-14-4-5-15-10(7-14)12(17)13(3)8-11(15)16/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMLMXSVUCQMVVRX-SNVBAGLBSA-N
MW239.32 g/mol
LogP-0.37
Rot. Bonds2

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

(9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56860059) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56860059
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C12H21N3O2/c1-9(2)6-14-4-5-15-10(7-14)12(17)13(3)8-11(15)16/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMLMXSVUCQMVVRX-SNVBAGLBSA-N
XLogP-0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 56860059) is (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CC(C)CN1CCN2C(=O)CN(C)C(=O)[C@H]2C1.
What is the InChIKey of (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is MLMXSVUCQMVVRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)6-14-4-5-15-10(7-14)12(17)13(3)8-11(15)16/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 239.32 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-(2-methylpropyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56860059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).