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

C13H17N3O2 — CID 122652208

IUPAC6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1C
InChIInChI=1S/C13H17N3O2/c1-9-8-16-11(13(17)15(9)2)7-14-12(16)10-3-5-18-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeySVVUZGLLATUKEM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds1

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

6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652208) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652208
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1C
InChIInChI=1S/C13H17N3O2/c1-9-8-16-11(13(17)15(9)2)7-14-12(16)10-3-5-18-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeySVVUZGLLATUKEM-UHFFFAOYSA-N
XLogP1.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652208) is 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1C.
What is the InChIKey of 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is SVVUZGLLATUKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-8-16-11(13(17)15(9)2)7-14-12(16)10-3-5-18-6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 247.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).