2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one

C7H13N3O — CID 45122044

IUPAC2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCNCC12
InChIInChI=1S/C7H13N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h6,8H,1-5H2,(H,9,11)
InChIKeyUUUPNGVYOIXAAC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.61
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one

2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one (PubChem CID 45122044) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one
PubChem CID45122044
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCNCC12
InChIInChI=1S/C7H13N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h6,8H,1-5H2,(H,9,11)
InChIKeyUUUPNGVYOIXAAC-UHFFFAOYSA-N
XLogP-1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hexahydro-1H-pyrido[1,2-A]pyrazin-3(2H)-one
CID 282263
2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 51072205
Tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 51072206
2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 51072207
octahydro-1H-pyrazino[1,2-a]piperazin-1-one dihydrochloride
CID 133080753
octahydro-1H-pyrazino[1,2-a]piperazine-3,4-dione hydrochloride
CID 71755449
hexahydro-1H-pyrido[1,2-a]pyrazin-4(6H)-one
CID 22708705
2-(5,5,5-trifluoropentyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 176667105
(S)-Hexahydro-1H-pyrido[1,2-a]pyrazin-4(6H)-one
CID 45099412
Tetrahydro-2h-pyrazino[1,2-a]pyrazine-3,6,9(4h)-trione
CID 169488835
(3S,9aR)-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 7161709
8-[(diethylamino)acetyl]tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50964404

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one (CID 45122044) is 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one is O=C1NCCN2CCNCC12.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one?
The InChIKey is UUUPNGVYOIXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h6,8H,1-5H2,(H,9,11).
What are the key properties of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one?
2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one has a molecular weight of 155.20 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one is sourced from PubChem (CID 45122044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).