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

C13H23N3O2 — CID 56859202

IUPAC(9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)CCN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C13H23N3O2/c1-10(2)4-5-15-6-7-16-11(8-15)13(18)14(3)9-12(16)17/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPMRRRRRJURSPEG-LLVKDONJSA-N
MW253.35 g/mol
LogP0.02
Rot. Bonds3

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

(9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56859202) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56859202
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)CCN1CCN2C(=O)CN(C)C(=O)[C@H]2C1
InChIInChI=1S/C13H23N3O2/c1-10(2)4-5-15-6-7-16-11(8-15)13(18)14(3)9-12(16)17/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyPMRRRRRJURSPEG-LLVKDONJSA-N
XLogP0.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 56859202) is (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CC(C)CCN1CCN2C(=O)CN(C)C(=O)[C@H]2C1.
What is the InChIKey of (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is PMRRRRRJURSPEG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)4-5-15-6-7-16-11(8-15)13(18)14(3)9-12(16)17/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 253.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56859202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).