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

C7H15Cl2N3O — CID 133080753

IUPAC2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN2CCNCC12
InChIInChI=1S/C7H13N3O.2ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;;/h6,8H,1-5H2,(H,9,11);2*1H
InChIKeyPFYOPWACPPBKLY-UHFFFAOYSA-N
MW228.12 g/mol
LogP-0.77
Rot. Bonds

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

2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride (PubChem CID 133080753) has the molecular formula C7H15Cl2N3O and a molecular weight of 228.12 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride
PubChem CID133080753
Molecular FormulaC7H15Cl2N3O
Molecular Weight228.12 g/mol
Exact Mass227.06
IUPAC Name2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN2CCNCC12
InChIInChI=1S/C7H13N3O.2ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;;/h6,8H,1-5H2,(H,9,11);2*1H
InChIKeyPFYOPWACPPBKLY-UHFFFAOYSA-N
XLogP-0.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride (CID 133080753) is 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride is Cl.Cl.O=C1NCCN2CCNCC12.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride?
The InChIKey is PFYOPWACPPBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.2ClH/c11-7-6-5-8-1-3-10(6)4-2-9-7;;/h6,8H,1-5H2,(H,9,11);2*1H.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride?
2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one;dihydrochloride has a molecular weight of 228.12 g/mol, XLogP of -0.77, 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;dihydrochloride is sourced from PubChem (CID 133080753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).