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

C12H16N4O — CID 99704171

IUPAC(8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(N2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C12H16N4O/c1-9-3-2-4-11(14-9)15-5-6-16-10(8-15)7-13-12(16)17/h2-4,10H,5-8H2,1H3,(H,13,17)/t10-/m0/s1
InChIKeySTANRTIGSLIBPN-JTQLQIEISA-N
MW232.29 g/mol
LogP0.60
Rot. Bonds1

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

(8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 99704171) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID99704171
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cccc(N2CCN3C(=O)NC[C@H]3C2)n1
InChIInChI=1S/C12H16N4O/c1-9-3-2-4-11(14-9)15-5-6-16-10(8-15)7-13-12(16)17/h2-4,10H,5-8H2,1H3,(H,13,17)/t10-/m0/s1
InChIKeySTANRTIGSLIBPN-JTQLQIEISA-N
XLogP0.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 99704171) is (8aS)-7-(6-methyl-2-pyridinyl)-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)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cccc(N2CCN3C(=O)NC[C@H]3C2)n1.
What is the InChIKey of (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is STANRTIGSLIBPN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-3-2-4-11(14-9)15-5-6-16-10(8-15)7-13-12(16)17/h2-4,10H,5-8H2,1H3,(H,13,17)/t10-/m0/s1.
What are the key properties of (8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(6-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 232.29 g/mol, XLogP of 0.60, 1 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)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 99704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).