2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide

C14H24N4O3 — CID 80725647

IUPAC2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC2CNCCN2C(=O)C1=O
InChIInChI=1S/C14H24N4O3/c1-9(2)10(3)16-12(19)8-17-7-11-6-15-4-5-18(11)14(21)13(17)20/h9-11,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyDRHIHQIKTRDLAQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.21
Rot. Bonds4

About 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide

2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 80725647) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID80725647
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC2CNCCN2C(=O)C1=O
InChIInChI=1S/C14H24N4O3/c1-9(2)10(3)16-12(19)8-17-7-11-6-15-4-5-18(11)14(21)13(17)20/h9-11,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyDRHIHQIKTRDLAQ-UHFFFAOYSA-N
XLogP-1.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide (CID 80725647) is 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1CC2CNCCN2C(=O)C1=O.
What is the InChIKey of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is DRHIHQIKTRDLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)10(3)16-12(19)8-17-7-11-6-15-4-5-18(11)14(21)13(17)20/h9-11,15H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxo-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 80725647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).