3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide

C14H16N4O4 — CID 67449201

IUPAC3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide
SMILESNC(=O)N1OC(Cc2ccccc2)C(=O)N2CC(=O)NCC21
InChIInChI=1S/C14H16N4O4/c15-14(21)18-12-7-16-11(19)8-17(12)13(20)10(22-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H2,15,21)(H,16,19)
InChIKeyFXBKZKSFUJPKPG-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.79
Rot. Bonds2

About 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide

3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide (PubChem CID 67449201) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide
PubChem CID67449201
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide
SMILESNC(=O)N1OC(Cc2ccccc2)C(=O)N2CC(=O)NCC21
InChIInChI=1S/C14H16N4O4/c15-14(21)18-12-7-16-11(19)8-17(12)13(20)10(22-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H2,15,21)(H,16,19)
InChIKeyFXBKZKSFUJPKPG-UHFFFAOYSA-N
XLogP-0.79
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide?
The IUPAC name of 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide (CID 67449201) is 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide is NC(=O)N1OC(Cc2ccccc2)C(=O)N2CC(=O)NCC21.
What is the InChIKey of 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide?
The InChIKey is FXBKZKSFUJPKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c15-14(21)18-12-7-16-11(19)8-17(12)13(20)10(22-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H2,15,21)(H,16,19).
What are the key properties of 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide?
3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide has a molecular weight of 304.31 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,7-dioxo-6,8,9,9a-tetrahydropyrazino[2,1-c][1,2,4]oxadiazine-1-carboxamide is sourced from PubChem (CID 67449201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).