3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one

C7H6BrN3O — CID 170900718

IUPAC3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCc1nc2c(=O)[nH]ccn2c1Br
InChIInChI=1S/C7H6BrN3O/c1-4-5(8)11-3-2-9-7(12)6(11)10-4/h2-3H,1H3,(H,9,12)
InChIKeyVVUHCABONICQJA-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.09
Rot. Bonds

About 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one

3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 170900718) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID170900718
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCc1nc2c(=O)[nH]ccn2c1Br
InChIInChI=1S/C7H6BrN3O/c1-4-5(8)11-3-2-9-7(12)6(11)10-4/h2-3H,1H3,(H,9,12)
InChIKeyVVUHCABONICQJA-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-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 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one (CID 170900718) is 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one is Cc1nc2c(=O)[nH]ccn2c1Br.
What is the InChIKey of 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is VVUHCABONICQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-4-5(8)11-3-2-9-7(12)6(11)10-4/h2-3H,1H3,(H,9,12).
What are the key properties of 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 228.05 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 170900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).