2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

C18H28N6O4 — CID 127615368

IUPAC2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESCC(CCN1CCN2C(=O)C(=O)NCC2C1)N1CCN2C(=O)C(=O)NCC2C1
InChIInChI=1S/C18H28N6O4/c1-12(22-5-7-24-14(11-22)9-20-16(26)18(24)28)2-3-21-4-6-23-13(10-21)8-19-15(25)17(23)27/h12-14H,2-11H2,1H3,(H,19,25)(H,20,26)
InChIKeyLWNLHADTMIQYIR-UHFFFAOYSA-N
MW392.46 g/mol
LogP-2.95
Rot. Bonds4

About 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (PubChem CID 127615368) has the molecular formula C18H28N6O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.

Molecular Properties

Compound Name2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
PubChem CID127615368
Molecular FormulaC18H28N6O4
Molecular Weight392.46 g/mol
Exact Mass392.22
IUPAC Name2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESCC(CCN1CCN2C(=O)C(=O)NCC2C1)N1CCN2C(=O)C(=O)NCC2C1
InChIInChI=1S/C18H28N6O4/c1-12(22-5-7-24-14(11-22)9-20-16(26)18(24)28)2-3-21-4-6-23-13(10-21)8-19-15(25)17(23)27/h12-14H,2-11H2,1H3,(H,19,25)(H,20,26)
InChIKeyLWNLHADTMIQYIR-UHFFFAOYSA-N
XLogP-2.95
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The IUPAC name of 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (CID 127615368) is 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.
What is the SMILES notation for 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The canonical SMILES for 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is CC(CCN1CCN2C(=O)C(=O)NCC2C1)N1CCN2C(=O)C(=O)NCC2C1.
What is the InChIKey of 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The InChIKey is LWNLHADTMIQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O4/c1-12(22-5-7-24-14(11-22)9-20-16(26)18(24)28)2-3-21-4-6-23-13(10-21)8-19-15(25)17(23)27/h12-14H,2-11H2,1H3,(H,19,25)(H,20,26).
What are the key properties of 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione has a molecular weight of 392.46 g/mol, XLogP of -2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is sourced from PubChem (CID 127615368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).