3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole

C11H13N5O — CID 55150898

IUPAC3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2nc(C3CCNCC3)no2)cn1
InChIInChI=1S/C11H13N5O/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2
InChIKeyAHAUDQANMSJWND-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.99
Rot. Bonds2

About 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole

3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 55150898) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID55150898
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2nc(C3CCNCC3)no2)cn1
InChIInChI=1S/C11H13N5O/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2
InChIKeyAHAUDQANMSJWND-UHFFFAOYSA-N
XLogP0.99
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 55150898) is 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole is c1cnc(-c2nc(C3CCNCC3)no2)cn1.
What is the InChIKey of 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is AHAUDQANMSJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2.
What are the key properties of 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55150898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).