2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride

C11H16ClN3OS — CID 68710623

IUPAC2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
SMILESCc1csc(N2CN3CCNCC3C2=O)c1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-8-4-10(16-6-8)14-7-13-3-2-12-5-9(13)11(14)15;/h4,6,9,12H,2-3,5,7H2,1H3;1H
InChIKeyUDCQLGSBMVNMDC-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.06
Rot. Bonds1

About 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride

2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride (PubChem CID 68710623) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
PubChem CID68710623
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
SMILESCc1csc(N2CN3CCNCC3C2=O)c1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-8-4-10(16-6-8)14-7-13-3-2-12-5-9(13)11(14)15;/h4,6,9,12H,2-3,5,7H2,1H3;1H
InChIKeyUDCQLGSBMVNMDC-UHFFFAOYSA-N
XLogP1.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The IUPAC name of 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride (CID 68710623) is 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride is Cc1csc(N2CN3CCNCC3C2=O)c1.Cl.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The InChIKey is UDCQLGSBMVNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS.ClH/c1-8-4-10(16-6-8)14-7-13-3-2-12-5-9(13)11(14)15;/h4,6,9,12H,2-3,5,7H2,1H3;1H.
What are the key properties of 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride has a molecular weight of 273.79 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride is sourced from PubChem (CID 68710623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).