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

C10H13N3OS — CID 68708451

IUPAC2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
SMILESO=C1C2CNCCN2CN1c1ccsc1
InChIInChI=1S/C10H13N3OS/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
InChIKeyDECOROUZNIPPSN-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.33
Rot. Bonds1

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

2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one (PubChem CID 68708451) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one.

Molecular Properties

Compound Name2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
PubChem CID68708451
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
SMILESO=C1C2CNCCN2CN1c1ccsc1
InChIInChI=1S/C10H13N3OS/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
InChIKeyDECOROUZNIPPSN-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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Related Compounds

1-[(4R,7S,8aS)-1-oxo-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-thiophen-3-ylurea
CID 26762151
1-[(4R,7S,8aS)-1-oxo-4-(3-oxo-3-piperidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-thiophen-3-ylurea
CID 26762945
6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 118745526
3-[(4R,7S,8aS)-1-oxo-7-(thiophen-3-ylcarbamoylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N,N-diethylpropanamide
CID 26763048
3-(Thien-3-yl)imidazolidine-2,4-dione
CID 102323004
3-Thienylimidazolidinedione
CID 20299823
5-(2-Fluoroethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 137955928
2-Thiophen-3-yl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 24794683
1-Thiophen-3-ylpiperazin-2-one
CID 67084859
2-Thiophen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
CID 68709754
Imidazo[1,5-a]pyrazin-3(2H)-one, hexahydro-2-(3-thienyl)-, hydrochloride (1:1)
CID 68710845
2-Thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
CID 68710846

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?
The IUPAC name of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one (CID 68708451) is 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one.
What is the SMILES notation for 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
The canonical SMILES for 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one is O=C1C2CNCCN2CN1c1ccsc1.
What is the InChIKey of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
The InChIKey is DECOROUZNIPPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/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.
What are the key properties of 2-thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one?
2-thiophen-3-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-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 68708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).