(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H18N4O — CID 75368564

IUPAC(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C13H18N4O/c1-10-3-2-4-11(15-10)8-16-5-6-17-12(9-16)7-14-13(17)18/h2-4,12H,5-9H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyIUANZQQYXIDBBF-LBPRGKRZSA-N
MW246.31 g/mol
LogP0.60
Rot. Bonds2

About (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75368564) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75368564
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C13H18N4O/c1-10-3-2-4-11(15-10)8-16-5-6-17-12(9-16)7-14-13(17)18/h2-4,12H,5-9H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyIUANZQQYXIDBBF-LBPRGKRZSA-N
XLogP0.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75368564) is (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1.
What is the InChIKey of (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is IUANZQQYXIDBBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-2-4-11(15-10)8-16-5-6-17-12(9-16)7-14-13(17)18/h2-4,12H,5-9H2,1H3,(H,14,18)/t12-/m0/s1.
What are the key properties of (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[(6-methyl-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).