1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one

C10H19N3O — CID 142104441

IUPAC1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one
SMILESCCC(=O)C1NCCN2CCNCC12
InChIInChI=1S/C10H19N3O/c1-2-9(14)10-8-7-11-3-5-13(8)6-4-12-10/h8,10-12H,2-7H2,1H3
InChIKeyLSCFVYKGTKMYME-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.79
Rot. Bonds2

About 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one

1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one (PubChem CID 142104441) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one
PubChem CID142104441
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one
SMILESCCC(=O)C1NCCN2CCNCC12
InChIInChI=1S/C10H19N3O/c1-2-9(14)10-8-7-11-3-5-13(8)6-4-12-10/h8,10-12H,2-7H2,1H3
InChIKeyLSCFVYKGTKMYME-UHFFFAOYSA-N
XLogP-0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one with MolForge

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Related Compounds

2-propanoylpiperazine-1-carbaldehyde
CID 22614385
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
(1S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
CID 11480691
1-(3-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 142148896
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one (CID 142104441) is 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one is CCC(=O)C1NCCN2CCNCC12.
What is the InChIKey of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one?
The InChIKey is LSCFVYKGTKMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-9(14)10-8-7-11-3-5-13(8)6-4-12-10/h8,10-12H,2-7H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one?
1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one has a molecular weight of 197.28 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 1-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-1-yl)propan-1-one is sourced from PubChem (CID 142104441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).