2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H13N3OS — CID 24794683

IUPAC2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2ccsc2)CC2CNCCN12
InChIInChI=1S/C10H13N3OS/c14-10-12-3-2-11-5-9(12)6-13(10)8-1-4-15-7-8/h1,4,7,9,11H,2-3,5-6H2
InChIKeySFFQEHMRLPCTKP-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.96
Rot. Bonds1

About 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 24794683) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID24794683
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2ccsc2)CC2CNCCN12
InChIInChI=1S/C10H13N3OS/c14-10-12-3-2-11-5-9(12)6-13(10)8-1-4-15-7-8/h1,4,7,9,11H,2-3,5-6H2
InChIKeySFFQEHMRLPCTKP-UHFFFAOYSA-N
XLogP0.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 24794683) is 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(c2ccsc2)CC2CNCCN12.
What is the InChIKey of 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is SFFQEHMRLPCTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10-12-3-2-11-5-9(12)6-13(10)8-1-4-15-7-8/h1,4,7,9,11H,2-3,5-6H2.
What are the key properties of 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 223.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 24794683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).