7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H16N6O2 — CID 106962669

IUPAC7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1nnc(N2CCN3C(=O)NCC3C2)o1
InChIInChI=1S/C10H16N6O2/c1-11-5-8-13-14-10(18-8)15-2-3-16-7(6-15)4-12-9(16)17/h7,11H,2-6H2,1H3,(H,12,17)
InChIKeyMTAMYYXLUMVZFM-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.00
Rot. Bonds3

About 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 106962669) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID106962669
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1nnc(N2CCN3C(=O)NCC3C2)o1
InChIInChI=1S/C10H16N6O2/c1-11-5-8-13-14-10(18-8)15-2-3-16-7(6-15)4-12-9(16)17/h7,11H,2-6H2,1H3,(H,12,17)
InChIKeyMTAMYYXLUMVZFM-UHFFFAOYSA-N
XLogP-1.00
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 106962669) is 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CNCc1nnc(N2CCN3C(=O)NCC3C2)o1.
What is the InChIKey of 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is MTAMYYXLUMVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-11-5-8-13-14-10(18-8)15-2-3-16-7(6-15)4-12-9(16)17/h7,11H,2-6H2,1H3,(H,12,17).
What are the key properties of 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 252.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 106962669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).