2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole

C14H22N4O — CID 71931686

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCN4CCCC4C3)o2)C1
InChIInChI=1S/C14H22N4O/c1-3-11(4-1)14-16-15-13(19-14)10-17-7-8-18-6-2-5-12(18)9-17/h11-12H,1-10H2
InChIKeyPNQXGLIKTKDDHI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds3

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole (PubChem CID 71931686) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole
PubChem CID71931686
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CN3CCN4CCCC4C3)o2)C1
InChIInChI=1S/C14H22N4O/c1-3-11(4-1)14-16-15-13(19-14)10-17-7-8-18-6-2-5-12(18)9-17/h11-12H,1-10H2
InChIKeyPNQXGLIKTKDDHI-UHFFFAOYSA-N
XLogP1.62
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole (CID 71931686) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole is C1CC(c2nnc(CN3CCN4CCCC4C3)o2)C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole?
The InChIKey is PNQXGLIKTKDDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(4-1)14-16-15-13(19-14)10-17-7-8-18-6-2-5-12(18)9-17/h11-12H,1-10H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole has a molecular weight of 262.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-cyclobutyl-1,3,4-oxadiazole is sourced from PubChem (CID 71931686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).