3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one

C9H11N3O — CID 53172208

IUPAC3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCCc1nc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C9H11N3O/c1-3-7-11-6(2)8-9(13)10-4-5-12(7)8/h4-5H,3H2,1-2H3,(H,10,13)
InChIKeyRNDGBXHFFGDTTA-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.89
Rot. Bonds1

About 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one

3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 53172208) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID53172208
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCCc1nc(C)c2c(=O)[nH]ccn12
InChIInChI=1S/C9H11N3O/c1-3-7-11-6(2)8-9(13)10-4-5-12(7)8/h4-5H,3H2,1-2H3,(H,10,13)
InChIKeyRNDGBXHFFGDTTA-UHFFFAOYSA-N
XLogP0.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one (CID 53172208) is 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one is CCc1nc(C)c2c(=O)[nH]ccn12.
What is the InChIKey of 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is RNDGBXHFFGDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-7-11-6(2)8-9(13)10-4-5-12(7)8/h4-5H,3H2,1-2H3,(H,10,13).
What are the key properties of 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one?
3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 177.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 53172208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).