6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C8H7BrN2O — CID 139341517

IUPAC6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(Br)n2cc[nH]c(=O)c12
InChIInChI=1S/C8H7BrN2O/c1-5-4-6(9)11-3-2-10-8(12)7(5)11/h2-4H,1H3,(H,10,12)
InChIKeyLONKZEWAZPHILC-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.70
Rot. Bonds

About 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 139341517) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID139341517
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(Br)n2cc[nH]c(=O)c12
InChIInChI=1S/C8H7BrN2O/c1-5-4-6(9)11-3-2-10-8(12)7(5)11/h2-4H,1H3,(H,10,12)
InChIKeyLONKZEWAZPHILC-UHFFFAOYSA-N
XLogP1.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-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 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 139341517) is 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(Br)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LONKZEWAZPHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-5-4-6(9)11-3-2-10-8(12)7(5)11/h2-4H,1H3,(H,10,12).
What are the key properties of 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 227.06 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 139341517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).