3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol

C12H8BrN3O — CID 135460486

IUPAC3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol
SMILESOc1nc(-c2ccc(Br)cc2)n2ccncc12
InChIInChI=1S/C12H8BrN3O/c13-9-3-1-8(2-4-9)11-15-12(17)10-7-14-5-6-16(10)11/h1-7,17H
InChIKeyMZQUVURRXBRCHL-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.86
Rot. Bonds1

About 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol

3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol (PubChem CID 135460486) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol
PubChem CID135460486
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol
SMILESOc1nc(-c2ccc(Br)cc2)n2ccncc12
InChIInChI=1S/C12H8BrN3O/c13-9-3-1-8(2-4-9)11-15-12(17)10-7-14-5-6-16(10)11/h1-7,17H
InChIKeyMZQUVURRXBRCHL-UHFFFAOYSA-N
XLogP2.86
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol?
The IUPAC name of 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol (CID 135460486) is 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol?
The canonical SMILES for 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol is Oc1nc(-c2ccc(Br)cc2)n2ccncc12.
What is the InChIKey of 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol?
The InChIKey is MZQUVURRXBRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-9-3-1-8(2-4-9)11-15-12(17)10-7-14-5-6-16(10)11/h1-7,17H.
What are the key properties of 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol?
3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol has a molecular weight of 290.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imidazo[1,5-a]pyrazin-1-ol is sourced from PubChem (CID 135460486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).