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

C6H8N2O — CID 13123639

IUPAC3,5-dimethyl-1H-pyrazin-2-one
SMILESCc1c[nH]c(=O)c(C)n1
InChIInChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
InChIKeyAJYKJVCIKQEVCF-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

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

3,5-dimethyl-1H-pyrazin-2-one (PubChem CID 13123639) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazin-2-one
PubChem CID13123639
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3,5-dimethyl-1H-pyrazin-2-one
SMILESCc1c[nH]c(=O)c(C)n1
InChIInChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
InChIKeyAJYKJVCIKQEVCF-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

2-Hydroxy-3-methylpyrazine
CID 88276
3,6-Dimethylpyrazin-2-ol
CID 12565999
6-Methyl-3-oxo-3,4-dihydropyrazine-2-carboxamide
CID 15149672
3-Ethylpyrazin-2(1h)-one
CID 117601
3-Isopropyl-5-methylpyrazin-2-ol
CID 23165703
3-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 173378793
5-methyl-3-(trifluoromethyl)-1H-pyrazin-2-one
CID 173378956
5-Isopropyl-3-methylpyrazin-2-ol
CID 13045102
5-Hydroxy-6-methylpyrazine-2-carbonitrile
CID 19915809
5-Bromo-3-methylpyrazin-2-ol
CID 20528957
5-ethyl-3-methyl-1H-pyrazin-2-one
CID 20528959
1,3,5-Trimethylpyrazin-2-one
CID 20646799

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3,5-dimethyl-1H-pyrazin-2-one (CID 13123639) is 3,5-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3,5-dimethyl-1H-pyrazin-2-one is Cc1c[nH]c(=O)c(C)n1.
What is the InChIKey of 3,5-dimethyl-1H-pyrazin-2-one?
The InChIKey is AJYKJVCIKQEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9).
What are the key properties of 3,5-dimethyl-1H-pyrazin-2-one?
3,5-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 3,5-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 13123639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).