1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone

C10H19N3O — CID 66667512

IUPAC1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(=O)N1CCN2CC(C)NC[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-8-6-13-4-3-12(9(2)14)7-10(13)5-11-8/h8,10-11H,3-7H2,1-2H3/t8?,10-/m0/s1
InChIKeyVSUWMJWWTKDBBE-HTLJXXAVSA-N
MW197.28 g/mol
LogP-0.49
Rot. Bonds

About 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone

1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 66667512) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
PubChem CID66667512
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(=O)N1CCN2CC(C)NC[C@H]2C1
InChIInChI=1S/C10H19N3O/c1-8-6-13-4-3-12(9(2)14)7-10(13)5-11-8/h8,10-11H,3-7H2,1-2H3/t8?,10-/m0/s1
InChIKeyVSUWMJWWTKDBBE-HTLJXXAVSA-N
XLogP-0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone with MolForge

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Related Compounds

1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
CID 67229919
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 130878732
(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613

Frequently Asked Questions

What is the IUPAC name of 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone (CID 66667512) is 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone is CC(=O)N1CCN2CC(C)NC[C@H]2C1.
What is the InChIKey of 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is VSUWMJWWTKDBBE-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-6-13-4-3-12(9(2)14)7-10(13)5-11-8/h8,10-11H,3-7H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 66667512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).