3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride

C7H12ClN3O2 — CID 146675737

IUPAC3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride
SMILESCl.O=C1NCC(=O)N2CCNCC12
InChIInChI=1S/C7H11N3O2.ClH/c11-6-4-9-7(12)5-3-8-1-2-10(5)6;/h5,8H,1-4H2,(H,9,12);1H
InChIKeyQWRSTAZOMUAOCK-UHFFFAOYSA-N
MW205.64 g/mol
LogP-1.66
Rot. Bonds

About 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride

3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride (PubChem CID 146675737) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride.

Molecular Properties

Compound Name3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride
PubChem CID146675737
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride
SMILESCl.O=C1NCC(=O)N2CCNCC12
InChIInChI=1S/C7H11N3O2.ClH/c11-6-4-9-7(12)5-3-8-1-2-10(5)6;/h5,8H,1-4H2,(H,9,12);1H
InChIKeyQWRSTAZOMUAOCK-UHFFFAOYSA-N
XLogP-1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride with MolForge

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Related Compounds

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-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 45122044
2,4,7-Trioxohexa-hydropteridin
CID 78169896
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
N-ethyl-8-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 50965317
N-methyl-4-(8-methyl-9-oxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)-4-oxobutanamide
CID 50971479

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride?
The IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride (CID 146675737) is 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride.
What is the SMILES notation for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride?
The canonical SMILES for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride is Cl.O=C1NCC(=O)N2CCNCC12.
What is the InChIKey of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride?
The InChIKey is QWRSTAZOMUAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c11-6-4-9-7(12)5-3-8-1-2-10(5)6;/h5,8H,1-4H2,(H,9,12);1H.
What are the key properties of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride?
3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride is sourced from PubChem (CID 146675737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).