N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C11H18N4O3 — CID 50965317

IUPACN-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCNC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1
InChIInChI=1S/C11H18N4O3/c1-3-12-11(18)14-4-5-15-8(6-14)10(17)13(2)7-9(15)16/h8H,3-7H2,1-2H3,(H,12,18)
InChIKeyCYBGUHVLFKZFJS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.30
Rot. Bonds1

About N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 50965317) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID50965317
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCCNC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1
InChIInChI=1S/C11H18N4O3/c1-3-12-11(18)14-4-5-15-8(6-14)10(17)13(2)7-9(15)16/h8H,3-7H2,1-2H3,(H,12,18)
InChIKeyCYBGUHVLFKZFJS-UHFFFAOYSA-N
XLogP-1.30
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 50965317) is N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CCNC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1.
What is the InChIKey of N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is CYBGUHVLFKZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-12-11(18)14-4-5-15-8(6-14)10(17)13(2)7-9(15)16/h8H,3-7H2,1-2H3,(H,12,18).
What are the key properties of N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50965317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).