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

C10H13N3OS — CID 68709754

IUPAC2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
SMILESO=C1C2CNCCN2CN1c1cccs1
InChIInChI=1S/C10H13N3OS/c14-10-8-6-11-3-4-12(8)7-13(10)9-2-1-5-15-9/h1-2,5,8,11H,3-4,6-7H2
InChIKeyNDIPMHUKBGSFFJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.33
Rot. Bonds1

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

2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one (PubChem CID 68709754) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
PubChem CID68709754
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
SMILESO=C1C2CNCCN2CN1c1cccs1
InChIInChI=1S/C10H13N3OS/c14-10-8-6-11-3-4-12(8)7-13(10)9-2-1-5-15-9/h1-2,5,8,11H,3-4,6-7H2
InChIKeyNDIPMHUKBGSFFJ-UHFFFAOYSA-N
XLogP0.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
The IUPAC name of 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one (CID 68709754) is 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one.
What is the SMILES notation for 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
The canonical SMILES for 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one is O=C1C2CNCCN2CN1c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
The InChIKey is NDIPMHUKBGSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10-8-6-11-3-4-12(8)7-13(10)9-2-1-5-15-9/h1-2,5,8,11H,3-4,6-7H2.
What are the key properties of 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one has a molecular weight of 223.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 68709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).