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

C13H18N4O — CID 75537104

IUPAC(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(Cc3ccccn3)CCN2C1=O
InChIInChI=1S/C13H18N4O/c1-15-9-12-10-16(6-7-17(12)13(15)18)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1
InChIKeyXLQSDRCQLLQURN-LBPRGKRZSA-N
MW246.31 g/mol
LogP0.63
Rot. Bonds2

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

(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537104) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537104
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(Cc3ccccn3)CCN2C1=O
InChIInChI=1S/C13H18N4O/c1-15-9-12-10-16(6-7-17(12)13(15)18)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1
InChIKeyXLQSDRCQLLQURN-LBPRGKRZSA-N
XLogP0.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
(8aR)-7-(1H-indol-3-ylmethyl)-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368595
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162801184
(7S,9aR)-7-propan-2-yl-2-(pyridin-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56854000
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CID 125482012
(8aR)-7-benzoyl-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
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(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
CID 124885920
CID 59694740
CID 59694740
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4,4-dimethyl-2-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
CID 162864154
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
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1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537104) is (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1C[C@H]2CN(Cc3ccccn3)CCN2C1=O.
What is the InChIKey of (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is XLQSDRCQLLQURN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O/c1-15-9-12-10-16(6-7-17(12)13(15)18)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1.
What are the key properties of (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).