2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

C11H19N3O2 — CID 117002748

IUPAC2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESCC(C)CN1CC2CNCC(=O)N2CC1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)5-13-6-9-3-12-4-10(15)14(9)7-11(13)16/h8-9,12H,3-7H2,1-2H3
InChIKeyZVDBPVHLYWXKQN-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.71
Rot. Bonds2

About 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (PubChem CID 117002748) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
PubChem CID117002748
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESCC(C)CN1CC2CNCC(=O)N2CC1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)5-13-6-9-3-12-4-10(15)14(9)7-11(13)16/h8-9,12H,3-7H2,1-2H3
InChIKeyZVDBPVHLYWXKQN-UHFFFAOYSA-N
XLogP-0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (CID 117002748) is 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is CC(C)CN1CC2CNCC(=O)N2CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The InChIKey is ZVDBPVHLYWXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-13-6-9-3-12-4-10(15)14(9)7-11(13)16/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione has a molecular weight of 225.29 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 117002748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).