8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

C8H9N3O — CID 145423042

IUPAC8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCN1CCn2c(nc#cc2=O)C1
InChIInChI=1S/C8H9N3O/c1-10-4-5-11-7(6-10)9-3-2-8(11)12/h4-6H2,1H3
InChIKeyZGHIMQICRRHNGK-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.71
Rot. Bonds

About 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 145423042) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID145423042
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCN1CCn2c(nc#cc2=O)C1
InChIInChI=1S/C8H9N3O/c1-10-4-5-11-7(6-10)9-3-2-8(11)12/h4-6H2,1H3
InChIKeyZGHIMQICRRHNGK-UHFFFAOYSA-N
XLogP-0.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (CID 145423042) is 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is CN1CCn2c(nc#cc2=O)C1.
What is the InChIKey of 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is ZGHIMQICRRHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-10-4-5-11-7(6-10)9-3-2-8(11)12/h4-6H2,1H3.
What are the key properties of 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 163.18 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-didehydro-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145423042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).