5-iodo-6-methyl-1,3-diphenylpyrazin-2-one

C17H13IN2O — CID 86053721

IUPAC5-iodo-6-methyl-1,3-diphenylpyrazin-2-one
SMILESCc1c(I)nc(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13IN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyMYHOMWTUKXORJU-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.81
Rot. Bonds2

About 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one

5-iodo-6-methyl-1,3-diphenylpyrazin-2-one (PubChem CID 86053721) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one.

Molecular Properties

Compound Name5-iodo-6-methyl-1,3-diphenylpyrazin-2-one
PubChem CID86053721
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name5-iodo-6-methyl-1,3-diphenylpyrazin-2-one
SMILESCc1c(I)nc(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H13IN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyMYHOMWTUKXORJU-UHFFFAOYSA-N
XLogP3.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-triphenylpyrimidin-4-one
CID 13280772
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436
3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 2742833
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
CID 1490401
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one?
The IUPAC name of 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one (CID 86053721) is 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one.
What is the SMILES notation for 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one?
The canonical SMILES for 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one is Cc1c(I)nc(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one?
The InChIKey is MYHOMWTUKXORJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-12-16(18)19-15(13-8-4-2-5-9-13)17(21)20(12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one?
5-iodo-6-methyl-1,3-diphenylpyrazin-2-one has a molecular weight of 388.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-1,3-diphenylpyrazin-2-one is sourced from PubChem (CID 86053721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).