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

C17H25N3O2 — CID 122652305

IUPAC6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CCC(C)C
InChIInChI=1S/C17H25N3O2/c1-12(2)4-7-19-13(3)11-20-15(17(19)21)10-18-16(20)14-5-8-22-9-6-14/h10-12,14H,4-9H2,1-3H3
InChIKeyOEYDINZBWMRAIK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds4

About 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652305) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652305
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1CCC(C)C
InChIInChI=1S/C17H25N3O2/c1-12(2)4-7-19-13(3)11-20-15(17(19)21)10-18-16(20)14-5-8-22-9-6-14/h10-12,14H,4-9H2,1-3H3
InChIKeyOEYDINZBWMRAIK-UHFFFAOYSA-N
XLogP2.74
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652305) is 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1CCC(C)C.
What is the InChIKey of 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is OEYDINZBWMRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)4-7-19-13(3)11-20-15(17(19)21)10-18-16(20)14-5-8-22-9-6-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 303.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(3-methylbutyl)-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).