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

C11H15N3OS — CID 79091225

IUPAC2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccsc2)CC2CNCCN12
InChIInChI=1S/C11H15N3OS/c15-11-13(6-9-1-4-16-8-9)7-10-5-12-2-3-14(10)11/h1,4,8,10,12H,2-3,5-7H2
InChIKeyANFRXMZEDVUWDN-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.96
Rot. Bonds2

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

2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091225) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091225
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccsc2)CC2CNCCN12
InChIInChI=1S/C11H15N3OS/c15-11-13(6-9-1-4-16-8-9)7-10-5-12-2-3-14(10)11/h1,4,8,10,12H,2-3,5-7H2
InChIKeyANFRXMZEDVUWDN-UHFFFAOYSA-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 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091225) is 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccsc2)CC2CNCCN12.
What is the InChIKey of 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ANFRXMZEDVUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-11-13(6-9-1-4-16-8-9)7-10-5-12-2-3-14(10)11/h1,4,8,10,12H,2-3,5-7H2.
What are the key properties of 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-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 2-(thiophen-3-ylmethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).