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

C6H8N2O — CID 12565999

IUPAC3,6-dimethyl-1H-pyrazin-2-one
SMILESCc1cnc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2O/c1-4-3-7-5(2)6(9)8-4/h3H,1-2H3,(H,8,9)
InChIKeyIUNWZLUSFPXBIJ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

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

3,6-dimethyl-1H-pyrazin-2-one (PubChem CID 12565999) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-1H-pyrazin-2-one
PubChem CID12565999
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3,6-dimethyl-1H-pyrazin-2-one
SMILESCc1cnc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2O/c1-4-3-7-5(2)6(9)8-4/h3H,1-2H3,(H,8,9)
InChIKeyIUNWZLUSFPXBIJ-UHFFFAOYSA-N
XLogP0.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-1H-pyrazin-2-one
CID 13123639
6-Methylpyrazin-2-ol
CID 285725
3,5,6-Trimethyl-1,2-dihydropyrazin-2-one
CID 820223
5-Methyl-3-oxo-3,4-dihydropyrazine-2-carboxamide
CID 292148
3,6-Diethylpyrazin-2(1H)-one
CID 12566000
3-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one
CID 53980333
6-(difluoromethyl)-3-methyl-1H-pyrazin-2-one
CID 89976642
6-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one
CID 173378977
6-Isopropyl-3-methylpyrazin-2-ol
CID 12051520
6-ethyl-3-methyl-1H-pyrazin-2-one
CID 12051524
2(1H)-Pyrazinone, 6-ethyl-
CID 19737130
6-methyl-3-propan-2-yl-1H-pyrazin-2-one
CID 67937375

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3,6-dimethyl-1H-pyrazin-2-one (CID 12565999) is 3,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3,6-dimethyl-1H-pyrazin-2-one is Cc1cnc(C)c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is IUNWZLUSFPXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-7-5(2)6(9)8-4/h3H,1-2H3,(H,8,9).
What are the key properties of 3,6-dimethyl-1H-pyrazin-2-one?
3,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 12565999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).