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

C15H27N3O — CID 75368653

IUPAC(8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCC(C)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C15H27N3O/c1-12(2)16-8-9-17-14(10-16)11-18(15(17)19)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyHEFARGMCRBKVFE-CQSZACIVSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds2

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

(8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368653) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368653
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCC(C)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C15H27N3O/c1-12(2)16-8-9-17-14(10-16)11-18(15(17)19)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyHEFARGMCRBKVFE-CQSZACIVSA-N
XLogP2.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368653) is (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CC(C)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is HEFARGMCRBKVFE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)16-8-9-17-14(10-16)11-18(15(17)19)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 265.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).