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

C12H15N3O2 — CID 122652329

IUPAC6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOC3C)ncc2c(=O)[nH]1
InChIInChI=1S/C12H15N3O2/c1-7-6-15-10(12(16)14-7)5-13-11(15)9-3-4-17-8(9)2/h5-6,8-9H,3-4H2,1-2H3,(H,14,16)
InChIKeyKCFHFZJJLZXCMO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds1

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

6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652329) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID122652329
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOC3C)ncc2c(=O)[nH]1
InChIInChI=1S/C12H15N3O2/c1-7-6-15-10(12(16)14-7)5-13-11(15)9-3-4-17-8(9)2/h5-6,8-9H,3-4H2,1-2H3,(H,14,16)
InChIKeyKCFHFZJJLZXCMO-UHFFFAOYSA-N
XLogP1.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one (CID 122652329) is 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOC3C)ncc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is KCFHFZJJLZXCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-6-15-10(12(16)14-7)5-13-11(15)9-3-4-17-8(9)2/h5-6,8-9H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one?
6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 233.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyloxolan-3-yl)-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).