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

C15H22N4O2 — CID 75537138

IUPAC(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cccnc3)CCN2C1=O
InChIInChI=1S/C15H22N4O2/c1-21-8-7-18-12-14-11-17(5-6-19(14)15(18)20)10-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyJECKKZOCDUSEOH-CQSZACIVSA-N
MW290.37 g/mol
LogP0.65
Rot. Bonds5

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

(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537138) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537138
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cccnc3)CCN2C1=O
InChIInChI=1S/C15H22N4O2/c1-21-8-7-18-12-14-11-17(5-6-19(14)15(18)20)10-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyJECKKZOCDUSEOH-CQSZACIVSA-N
XLogP0.65
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537138) is (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COCCN1C[C@H]2CN(Cc3cccnc3)CCN2C1=O.
What is the InChIKey of (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is JECKKZOCDUSEOH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-8-7-18-12-14-11-17(5-6-19(14)15(18)20)10-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).