2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole

C11H13N5O — CID 168889948

IUPAC2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESc1nnc(-c2ccc(N3CCNCC3)nc2)o1
InChIInChI=1S/C11H13N5O/c1-2-10(16-5-3-12-4-6-16)13-7-9(1)11-15-14-8-17-11/h1-2,7-8,12H,3-6H2
InChIKeySADXDCGJZORTCZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.54
Rot. Bonds2

About 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole

2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 168889948) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID168889948
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESc1nnc(-c2ccc(N3CCNCC3)nc2)o1
InChIInChI=1S/C11H13N5O/c1-2-10(16-5-3-12-4-6-16)13-7-9(1)11-15-14-8-17-11/h1-2,7-8,12H,3-6H2
InChIKeySADXDCGJZORTCZ-UHFFFAOYSA-N
XLogP0.54
TPSA67.08 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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole (CID 168889948) is 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole is c1nnc(-c2ccc(N3CCNCC3)nc2)o1.
What is the InChIKey of 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is SADXDCGJZORTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-10(16-5-3-12-4-6-16)13-7-9(1)11-15-14-8-17-11/h1-2,7-8,12H,3-6H2.
What are the key properties of 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 168889948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).