(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H15N3OS — CID 86769449

IUPAC(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(Cc3cccs3)CCN12
InChIInChI=1S/C11H15N3OS/c15-11-12-6-9-7-13(3-4-14(9)11)8-10-2-1-5-16-10/h1-2,5,9H,3-4,6-8H2,(H,12,15)/t9-/m0/s1
InChIKeyUXDZQPBRZPJAFL-VIFPVBQESA-N
MW237.33 g/mol
LogP0.96
Rot. Bonds2

About (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 86769449) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID86769449
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(Cc3cccs3)CCN12
InChIInChI=1S/C11H15N3OS/c15-11-12-6-9-7-13(3-4-14(9)11)8-10-2-1-5-16-10/h1-2,5,9H,3-4,6-8H2,(H,12,15)/t9-/m0/s1
InChIKeyUXDZQPBRZPJAFL-VIFPVBQESA-N
XLogP0.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 86769449) is (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NC[C@H]2CN(Cc3cccs3)CCN12.
What is the InChIKey of (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is UXDZQPBRZPJAFL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3OS/c15-11-12-6-9-7-13(3-4-14(9)11)8-10-2-1-5-16-10/h1-2,5,9H,3-4,6-8H2,(H,12,15)/t9-/m0/s1.
What are the key properties of (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 237.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(thiophen-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 86769449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).