(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H24F3N3O2 — CID 75368672

IUPAC(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)11-23-7-8-24-17(12-23)13-25(18(24)26)16-5-9-27-10-6-16/h1-4,16-17H,5-13H2/t17-/m1/s1
InChIKeyHVHYFWIJKIBQHK-QGZVFWFLSA-N
MW383.41 g/mol
LogP2.81
Rot. Bonds3

About (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368672) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368672
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)11-23-7-8-24-17(12-23)13-25(18(24)26)16-5-9-27-10-6-16/h1-4,16-17H,5-13H2/t17-/m1/s1
InChIKeyHVHYFWIJKIBQHK-QGZVFWFLSA-N
XLogP2.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368672) is (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN12.
What is the InChIKey of (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is HVHYFWIJKIBQHK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)11-23-7-8-24-17(12-23)13-25(18(24)26)16-5-9-27-10-6-16/h1-4,16-17H,5-13H2/t17-/m1/s1.
What are the key properties of (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 383.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(oxan-4-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).