(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C11H15N5O3 — CID 95119889

IUPAC(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3cnon3)C[C@@H]2C1=O
InChIInChI=1S/C11H15N5O3/c1-14-2-3-15-4-5-16(7-9(15)11(14)18)10(17)8-6-12-19-13-8/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyFOAAHGBSPLEGBJ-SECBINFHSA-N
MW265.27 g/mol
LogP-1.33
Rot. Bonds1

About (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95119889) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95119889
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)c3cnon3)C[C@@H]2C1=O
InChIInChI=1S/C11H15N5O3/c1-14-2-3-15-4-5-16(7-9(15)11(14)18)10(17)8-6-12-19-13-8/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyFOAAHGBSPLEGBJ-SECBINFHSA-N
XLogP-1.33
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948995
8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50979351
(9aR)-8-methyl-2-[3-(1,2,4-triazol-4-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95124209
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948165
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
(9aR)-2-(2-anilinopyrimidine-5-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95132496
(9aS)-8-methyl-2-[2-(1,2,4-triazol-1-yl)acetyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131252
(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95143312
8-methyl-2-(4-oxo-3H-phthalazine-1-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50974829
(9aR)-2-[1-(2-hydroxyethyl)benzimidazole-5-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95220111
(9aR)-8-methyl-2-[2-(1-methylimidazol-2-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95128049

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95119889) is (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)c3cnon3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is FOAAHGBSPLEGBJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-14-2-3-15-4-5-16(7-9(15)11(14)18)10(17)8-6-12-19-13-8/h6,9H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 265.27 g/mol, XLogP of -1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).