7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one

C8H9N3O — CID 59652099

IUPAC7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one
SMILESCC1=CN2C=CN=CC2C(=O)N1
InChIInChI=1S/C8H9N3O/c1-6-5-11-3-2-9-4-7(11)8(12)10-6/h2-5,7H,1H3,(H,10,12)
InChIKeyPPLWMUQUQIDEIO-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.20
Rot. Bonds

About 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one

7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 59652099) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one
PubChem CID59652099
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one
SMILESCC1=CN2C=CN=CC2C(=O)N1
InChIInChI=1S/C8H9N3O/c1-6-5-11-3-2-9-4-7(11)8(12)10-6/h2-5,7H,1H3,(H,10,12)
InChIKeyPPLWMUQUQIDEIO-UHFFFAOYSA-N
XLogP0.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one (CID 59652099) is 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one is CC1=CN2C=CN=CC2C(=O)N1.
What is the InChIKey of 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is PPLWMUQUQIDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-5-11-3-2-9-4-7(11)8(12)10-6/h2-5,7H,1H3,(H,10,12).
What are the key properties of 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one?
7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 163.18 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8,9a-dihydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 59652099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).