3,3-dimethyl-1,2-dihydropyrazin-6-one

C6H10N2O — CID 66632068

IUPAC3,3-dimethyl-1,2-dihydropyrazin-6-one
SMILESCC1(C)CNC(=O)C=N1
InChIInChI=1S/C6H10N2O/c1-6(2)4-7-5(9)3-8-6/h3H,4H2,1-2H3,(H,7,9)
InChIKeyKSZREYOTWQDTKO-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.03
Rot. Bonds

About 3,3-dimethyl-1,2-dihydropyrazin-6-one

3,3-dimethyl-1,2-dihydropyrazin-6-one (PubChem CID 66632068) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydropyrazin-6-one.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydropyrazin-6-one
PubChem CID66632068
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3,3-dimethyl-1,2-dihydropyrazin-6-one
SMILESCC1(C)CNC(=O)C=N1
InChIInChI=1S/C6H10N2O/c1-6(2)4-7-5(9)3-8-6/h3H,4H2,1-2H3,(H,7,9)
InChIKeyKSZREYOTWQDTKO-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 3,3-dimethyl-1,2-dihydropyrazin-6-one?
The IUPAC name of 3,3-dimethyl-1,2-dihydropyrazin-6-one (CID 66632068) is 3,3-dimethyl-1,2-dihydropyrazin-6-one.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydropyrazin-6-one?
The canonical SMILES for 3,3-dimethyl-1,2-dihydropyrazin-6-one is CC1(C)CNC(=O)C=N1.
What is the InChIKey of 3,3-dimethyl-1,2-dihydropyrazin-6-one?
The InChIKey is KSZREYOTWQDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(2)4-7-5(9)3-8-6/h3H,4H2,1-2H3,(H,7,9).
What are the key properties of 3,3-dimethyl-1,2-dihydropyrazin-6-one?
3,3-dimethyl-1,2-dihydropyrazin-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 3,3-dimethyl-1,2-dihydropyrazin-6-one is sourced from PubChem (CID 66632068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).