2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride

C8H15ClN4O — CID 52988216

IUPAC2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
SMILESCCc1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-2-7-10-11-8(13-7)12-5-3-9-4-6-12;/h9H,2-6H2,1H3;1H
InChIKeyFYRYJHNNLGMSON-UHFFFAOYSA-N
MW218.69 g/mol
LogP0.46
Rot. Bonds2

About 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride

2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 52988216) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID52988216
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC Name2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
SMILESCCc1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-2-7-10-11-8(13-7)12-5-3-9-4-6-12;/h9H,2-6H2,1H3;1H
InChIKeyFYRYJHNNLGMSON-UHFFFAOYSA-N
XLogP0.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride (CID 52988216) is 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride is CCc1nnc(N2CCNCC2)o1.Cl.
What is the InChIKey of 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is FYRYJHNNLGMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c1-2-7-10-11-8(13-7)12-5-3-9-4-6-12;/h9H,2-6H2,1H3;1H.
What are the key properties of 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 52988216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).