3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one

C10H8ClN3O — CID 53328621

IUPAC3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
SMILESO=C1CC(c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C10H8ClN3O/c11-9-8-5-13-10(6-3-7(15)4-6)14(8)2-1-12-9/h1-2,5-6H,3-4H2
InChIKeyWXMBSVUDSOHVNL-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.83
Rot. Bonds1

About 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one

3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one (PubChem CID 53328621) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
PubChem CID53328621
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
SMILESO=C1CC(c2ncc3c(Cl)nccn23)C1
InChIInChI=1S/C10H8ClN3O/c11-9-8-5-13-10(6-3-7(15)4-6)14(8)2-1-12-9/h1-2,5-6H,3-4H2
InChIKeyWXMBSVUDSOHVNL-UHFFFAOYSA-N
XLogP1.83
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The IUPAC name of 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one (CID 53328621) is 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The canonical SMILES for 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one is O=C1CC(c2ncc3c(Cl)nccn23)C1.
What is the InChIKey of 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The InChIKey is WXMBSVUDSOHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-9-8-5-13-10(6-3-7(15)4-6)14(8)2-1-12-9/h1-2,5-6H,3-4H2.
What are the key properties of 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one has a molecular weight of 221.65 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one is sourced from PubChem (CID 53328621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).