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

C13H18N4O2 — CID 75368561

IUPAC(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C13H18N4O2/c1-19-12-4-2-3-10(15-12)8-16-5-6-17-11(9-16)7-14-13(17)18/h2-4,11H,5-9H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyPOLVHLORKLCUJD-NSHDSACASA-N
MW262.31 g/mol
LogP0.30
Rot. Bonds3

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

(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75368561) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75368561
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C13H18N4O2/c1-19-12-4-2-3-10(15-12)8-16-5-6-17-11(9-16)7-14-13(17)18/h2-4,11H,5-9H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyPOLVHLORKLCUJD-NSHDSACASA-N
XLogP0.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75368561) is (8aS)-7-[(6-methoxy-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-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is COc1cccc(CN2CCN3C(=O)NC[C@H]3C2)n1.
What is the InChIKey of (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is POLVHLORKLCUJD-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-12-4-2-3-10(15-12)8-16-5-6-17-11(9-16)7-14-13(17)18/h2-4,11H,5-9H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).