4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one

C9H13BrN4O2 — CID 170125233

IUPAC4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C2=NC(Br)=CNC2O)CC1=O
InChIInChI=1S/C9H13BrN4O2/c1-13-2-3-14(5-7(13)15)8-9(16)11-4-6(10)12-8/h4,9,11,16H,2-3,5H2,1H3
InChIKeyCVFMUMGNLGYUTB-UHFFFAOYSA-N
MW289.13 g/mol
LogP-0.73
Rot. Bonds

About 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one

4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one (PubChem CID 170125233) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one
PubChem CID170125233
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(C2=NC(Br)=CNC2O)CC1=O
InChIInChI=1S/C9H13BrN4O2/c1-13-2-3-14(5-7(13)15)8-9(16)11-4-6(10)12-8/h4,9,11,16H,2-3,5H2,1H3
InChIKeyCVFMUMGNLGYUTB-UHFFFAOYSA-N
XLogP-0.73
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-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 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one (CID 170125233) is 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one is CN1CCN(C2=NC(Br)=CNC2O)CC1=O.
What is the InChIKey of 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one?
The InChIKey is CVFMUMGNLGYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-13-2-3-14(5-7(13)15)8-9(16)11-4-6(10)12-8/h4,9,11,16H,2-3,5H2,1H3.
What are the key properties of 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one?
4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one has a molecular weight of 289.13 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-hydroxy-1,2-dihydropyrazin-3-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 170125233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).