3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol

C16H16N4O — CID 11716093

IUPAC3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12
InChIInChI=1S/C16H16N4O/c17-15-14-13(11-5-2-6-12(21)9-11)19-16(10-3-1-4-10)20(14)8-7-18-15/h2,5-10,21H,1,3-4H2,(H2,17,18)
InChIKeyFYHLIVYLLJCASJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds2

About 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol

3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol (PubChem CID 11716093) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol.

Molecular Properties

Compound Name3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol
PubChem CID11716093
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12
InChIInChI=1S/C16H16N4O/c17-15-14-13(11-5-2-6-12(21)9-11)19-16(10-3-1-4-10)20(14)8-7-18-15/h2,5-10,21H,1,3-4H2,(H2,17,18)
InChIKeyFYHLIVYLLJCASJ-UHFFFAOYSA-N
XLogP2.95
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol?
The IUPAC name of 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol (CID 11716093) is 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol.
What is the SMILES notation for 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol?
The canonical SMILES for 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol is Nc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12.
What is the InChIKey of 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol?
The InChIKey is FYHLIVYLLJCASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15-14-13(11-5-2-6-12(21)9-11)19-16(10-3-1-4-10)20(14)8-7-18-15/h2,5-10,21H,1,3-4H2,(H2,17,18).
What are the key properties of 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol?
3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol has a molecular weight of 280.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenol is sourced from PubChem (CID 11716093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).