1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one

C9H9N3OS — CID 76847852

IUPAC1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1ncc2cnccn12
InChIInChI=1S/C9H9N3OS/c1-7(13)6-14-9-11-5-8-4-10-2-3-12(8)9/h2-5H,6H2,1H3
InChIKeyRCGKHGXGXDHTSN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.41
Rot. Bonds3

About 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one

1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one (PubChem CID 76847852) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one
PubChem CID76847852
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1ncc2cnccn12
InChIInChI=1S/C9H9N3OS/c1-7(13)6-14-9-11-5-8-4-10-2-3-12(8)9/h2-5H,6H2,1H3
InChIKeyRCGKHGXGXDHTSN-UHFFFAOYSA-N
XLogP1.41
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one?
The IUPAC name of 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one (CID 76847852) is 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one?
The canonical SMILES for 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one is CC(=O)CSc1ncc2cnccn12.
What is the InChIKey of 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one?
The InChIKey is RCGKHGXGXDHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7(13)6-14-9-11-5-8-4-10-2-3-12(8)9/h2-5H,6H2,1H3.
What are the key properties of 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one?
1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one has a molecular weight of 207.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one is sourced from PubChem (CID 76847852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).