(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C17H25N3OS — CID 75537126

IUPAC(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccs3)CCN12
InChIInChI=1S/C17H25N3OS/c21-17-19-9-8-18(13-16-7-4-10-22-16)11-15(19)12-20(17)14-5-2-1-3-6-14/h4,7,10,14-15H,1-3,5-6,8-9,11-13H2/t15-/m1/s1
InChIKeyRMUNPNRFAAJQBX-OAHLLOKOSA-N
MW319.47 g/mol
LogP3.00
Rot. Bonds3

About (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537126) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537126
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccs3)CCN12
InChIInChI=1S/C17H25N3OS/c21-17-19-9-8-18(13-16-7-4-10-22-16)11-15(19)12-20(17)14-5-2-1-3-6-14/h4,7,10,14-15H,1-3,5-6,8-9,11-13H2/t15-/m1/s1
InChIKeyRMUNPNRFAAJQBX-OAHLLOKOSA-N
XLogP3.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537126) is (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccs3)CCN12.
What is the InChIKey of (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is RMUNPNRFAAJQBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-17-19-9-8-18(13-16-7-4-10-22-16)11-15(19)12-20(17)14-5-2-1-3-6-14/h4,7,10,14-15H,1-3,5-6,8-9,11-13H2/t15-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 319.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-(thiophen-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).