3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one

C12H13N3O2 — CID 122652395

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9/h2,6-7H,3-5H2,1H3,(H,14,16)
InChIKeyOZZYGGOIUXDEKE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.13
Rot. Bonds1

About 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one

3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652395) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID122652395
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9/h2,6-7H,3-5H2,1H3,(H,14,16)
InChIKeyOZZYGGOIUXDEKE-UHFFFAOYSA-N
XLogP1.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one (CID 122652395) is 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3=CCOCC3)ncc2c(=O)[nH]1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is OZZYGGOIUXDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-15-10(12(16)14-8)6-13-11(15)9-2-4-17-5-3-9/h2,6-7H,3-5H2,1H3,(H,14,16).
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 231.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).