6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one

C11H11N3O — CID 68607908

IUPAC6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2cncc(=O)[nH]2)cc1N
InChIInChI=1S/C11H11N3O/c1-7-2-3-8(4-9(7)12)10-5-13-6-11(15)14-10/h2-6H,12H2,1H3,(H,14,15)
InChIKeyOMYJGUBZVJOEKA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

About 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one

6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one (PubChem CID 68607908) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
PubChem CID68607908
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
SMILESCc1ccc(-c2cncc(=O)[nH]2)cc1N
InChIInChI=1S/C11H11N3O/c1-7-2-3-8(4-9(7)12)10-5-13-6-11(15)14-10/h2-6H,12H2,1H3,(H,14,15)
InChIKeyOMYJGUBZVJOEKA-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide
CID 68607906
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555
2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
CID 82469472
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
CID 82471138
5-(4-aminophenyl)-2-methylaniline
CID 68788638
4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
CID 58128682
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
CID 167066942
5-(5-chloro-1H-indol-2-yl)-2-methylaniline
CID 39358848
4-(2-methyl-1H-imidazol-5-yl)-2-methylsulfonylaniline
CID 166047876
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
CID 155718046

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one (CID 68607908) is 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one is Cc1ccc(-c2cncc(=O)[nH]2)cc1N.
What is the InChIKey of 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one?
The InChIKey is OMYJGUBZVJOEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-2-3-8(4-9(7)12)10-5-13-6-11(15)14-10/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one?
6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 68607908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).