3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one

C14H15BrN2O2 — CID 107284419

IUPAC3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one
SMILESCc1ccc(Br)cc1Oc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-9(2)17-7-6-16-13(14(17)18)19-12-8-11(15)5-4-10(12)3/h4-9H,1-3H3
InChIKeyDFGQEFBROJSSAC-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.69
Rot. Bonds3

About 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one

3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one (PubChem CID 107284419) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one
PubChem CID107284419
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one
SMILESCc1ccc(Br)cc1Oc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-9(2)17-7-6-16-13(14(17)18)19-12-8-11(15)5-4-10(12)3/h4-9H,1-3H3
InChIKeyDFGQEFBROJSSAC-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-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

Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)-1-propan-2-ylpyrazin-2-one
CID 107724182
3-(3-amino-5-bromophenoxy)-1-propan-2-ylpyrazin-2-one
CID 103589152
3-(2-iodophenoxy)-1-propan-2-ylpyrazin-2-one
CID 62939291
3-(2-amino-4,5-dichlorophenoxy)-1-propan-2-ylpyrazin-2-one
CID 107500907
2-(5-bromo-2-methylphenoxy)-1-methylimidazole
CID 107284503
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
2-(3-oxo-4-propan-2-ylpyrazin-2-yl)oxyacetic acid
CID 114335330
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one (CID 107284419) is 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one is Cc1ccc(Br)cc1Oc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one?
The InChIKey is DFGQEFBROJSSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(2)17-7-6-16-13(14(17)18)19-12-8-11(15)5-4-10(12)3/h4-9H,1-3H3.
What are the key properties of 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one?
3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one has a molecular weight of 323.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenoxy)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 107284419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).