3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one

C12H13N3O3S — CID 118021401

IUPAC3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one
SMILESCn1cc(-c2cccc(S(C)(=O)=O)c2)nc(N)c1=O
InChIInChI=1S/C12H13N3O3S/c1-15-7-10(14-11(13)12(15)16)8-4-3-5-9(6-8)19(2,17)18/h3-7H,1-2H3,(H2,13,14)
InChIKeyBZJVXVIIADXSEJ-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.43
Rot. Bonds2

About 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one

3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one (PubChem CID 118021401) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one
PubChem CID118021401
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one
SMILESCn1cc(-c2cccc(S(C)(=O)=O)c2)nc(N)c1=O
InChIInChI=1S/C12H13N3O3S/c1-15-7-10(14-11(13)12(15)16)8-4-3-5-9(6-8)19(2,17)18/h3-7H,1-2H3,(H2,13,14)
InChIKeyBZJVXVIIADXSEJ-UHFFFAOYSA-N
XLogP0.43
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one?
The IUPAC name of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one (CID 118021401) is 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one is Cn1cc(-c2cccc(S(C)(=O)=O)c2)nc(N)c1=O.
What is the InChIKey of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one?
The InChIKey is BZJVXVIIADXSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-15-7-10(14-11(13)12(15)16)8-4-3-5-9(6-8)19(2,17)18/h3-7H,1-2H3,(H2,13,14).
What are the key properties of 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one?
3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one has a molecular weight of 279.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-(3-methylsulfonylphenyl)pyrazin-2-one is sourced from PubChem (CID 118021401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).