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

C10H14ClN3OS — CID 68710846

IUPAC2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1C2CNCCN2CN1c1ccsc1
InChIInChI=1S/C10H13N3OS.ClH/c14-10-9-5-11-2-3-12(9)7-13(10)8-1-4-15-6-8;/h1,4,6,9,11H,2-3,5,7H2;1H
InChIKeyPOKCMEZZBLPPPU-UHFFFAOYSA-N
MW259.76 g/mol
LogP0.75
Rot. Bonds1

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

2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride (PubChem CID 68710846) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
PubChem CID68710846
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1C2CNCCN2CN1c1ccsc1
InChIInChI=1S/C10H13N3OS.ClH/c14-10-9-5-11-2-3-12(9)7-13(10)8-1-4-15-6-8;/h1,4,6,9,11H,2-3,5,7H2;1H
InChIKeyPOKCMEZZBLPPPU-UHFFFAOYSA-N
XLogP0.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The IUPAC name of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride (CID 68710846) is 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride.
What is the SMILES notation for 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The canonical SMILES for 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride is Cl.O=C1C2CNCCN2CN1c1ccsc1.
What is the InChIKey of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
The InChIKey is POKCMEZZBLPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS.ClH/c14-10-9-5-11-2-3-12(9)7-13(10)8-1-4-15-6-8;/h1,4,6,9,11H,2-3,5,7H2;1H.
What are the key properties of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride?
2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride has a molecular weight of 259.76 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride is sourced from PubChem (CID 68710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).