2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C11H19N3O2 — CID 18338736

IUPAC2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)C1NC(=O)C2CN(C)CCN2C1=O
InChIInChI=1S/C11H19N3O2/c1-7(2)9-11(16)14-5-4-13(3)6-8(14)10(15)12-9/h7-9H,4-6H2,1-3H3,(H,12,15)
InChIKeyBMYGLLNHWQCGAP-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.72
Rot. Bonds1

About 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 18338736) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID18338736
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCC(C)C1NC(=O)C2CN(C)CCN2C1=O
InChIInChI=1S/C11H19N3O2/c1-7(2)9-11(16)14-5-4-13(3)6-8(14)10(15)12-9/h7-9H,4-6H2,1-3H3,(H,12,15)
InChIKeyBMYGLLNHWQCGAP-UHFFFAOYSA-N
XLogP-0.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 18338736) is 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CC(C)C1NC(=O)C2CN(C)CCN2C1=O.
What is the InChIKey of 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is BMYGLLNHWQCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)9-11(16)14-5-4-13(3)6-8(14)10(15)12-9/h7-9H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 225.29 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 18338736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).