3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one

C6H10N2O — CID 54180760

IUPAC3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one
SMILESCC1=NC(C)CNC1=O
InChIInChI=1S/C6H10N2O/c1-4-3-7-6(9)5(2)8-4/h4H,3H2,1-2H3,(H,7,9)
InChIKeyPBPVJJNHZMSEPN-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.03
Rot. Bonds

About 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one

3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 54180760) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one
PubChem CID54180760
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one
SMILESCC1=NC(C)CNC1=O
InChIInChI=1S/C6H10N2O/c1-4-3-7-6(9)5(2)8-4/h4H,3H2,1-2H3,(H,7,9)
InChIKeyPBPVJJNHZMSEPN-UHFFFAOYSA-N
XLogP-0.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one (CID 54180760) is 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one is CC1=NC(C)CNC1=O.
What is the InChIKey of 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is PBPVJJNHZMSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-3-7-6(9)5(2)8-4/h4H,3H2,1-2H3,(H,7,9).
What are the key properties of 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one?
3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 126.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 54180760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).