3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

C11H10BrN3O3 — CID 175591325

IUPAC3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2c(cnc2-c2ccc(Br)o2)C1
InChIInChI=1S/C11H10BrN3O3/c12-9-2-1-8(18-9)10-13-5-7-6-14(11(16)17)3-4-15(7)10/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyODXZBQZBPFBYSN-UHFFFAOYSA-N
MW312.12 g/mol
LogP2.40
Rot. Bonds1

About 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 175591325) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID175591325
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2c(cnc2-c2ccc(Br)o2)C1
InChIInChI=1S/C11H10BrN3O3/c12-9-2-1-8(18-9)10-13-5-7-6-14(11(16)17)3-4-15(7)10/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyODXZBQZBPFBYSN-UHFFFAOYSA-N
XLogP2.40
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 175591325) is 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is O=C(O)N1CCn2c(cnc2-c2ccc(Br)o2)C1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is ODXZBQZBPFBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c12-9-2-1-8(18-9)10-13-5-7-6-14(11(16)17)3-4-15(7)10/h1-2,5H,3-4,6H2,(H,16,17).
What are the key properties of 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 312.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 175591325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).