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

C11H19N3O3 — CID 95143312

IUPAC(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCO)C[C@@H]2C1=O
InChIInChI=1S/C11H19N3O3/c1-12-3-4-13-5-6-14(10(16)2-7-15)8-9(13)11(12)17/h9,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyBOGJQLFILSMBBH-SECBINFHSA-N
MW241.29 g/mol
LogP-1.65
Rot. Bonds2

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

(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95143312) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95143312
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCO)C[C@@H]2C1=O
InChIInChI=1S/C11H19N3O3/c1-12-3-4-13-5-6-14(10(16)2-7-15)8-9(13)11(12)17/h9,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyBOGJQLFILSMBBH-SECBINFHSA-N
XLogP-1.65
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
CID 95132863
(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95123237
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95129390
(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
(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95125270
(9aR)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95125269
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816
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-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119889
8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948995
(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

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95143312) is (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)CCO)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is BOGJQLFILSMBBH-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-12-3-4-13-5-6-14(10(16)2-7-15)8-9(13)11(12)17/h9,15H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 241.29 g/mol, XLogP of -1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95143312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).