3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

C11H13N3O2 — CID 122652231

IUPAC3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]ccn2c(C3CCOCC3)ncc12
InChIInChI=1S/C11H13N3O2/c15-11-9-7-13-10(14(9)4-3-12-11)8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2,(H,12,15)
InChIKeyORVNVWKHNZQICB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.92
Rot. Bonds1

About 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652231) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID122652231
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]ccn2c(C3CCOCC3)ncc12
InChIInChI=1S/C11H13N3O2/c15-11-9-7-13-10(14(9)4-3-12-11)8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2,(H,12,15)
InChIKeyORVNVWKHNZQICB-UHFFFAOYSA-N
XLogP0.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one (CID 122652231) is 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one is O=c1[nH]ccn2c(C3CCOCC3)ncc12.
What is the InChIKey of 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is ORVNVWKHNZQICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-9-7-13-10(14(9)4-3-12-11)8-1-5-16-6-2-8/h3-4,7-8H,1-2,5-6H2,(H,12,15).
What are the key properties of 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 219.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).