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

C7H13ClN4O — CID 52988215

IUPAC2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
SMILESCc1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyJJTKHWSRDDGCJH-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.21
Rot. Bonds1

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

2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 52988215) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID52988215
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride
SMILESCc1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyJJTKHWSRDDGCJH-UHFFFAOYSA-N
XLogP0.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride (CID 52988215) is 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride is Cc1nnc(N2CCNCC2)o1.Cl.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is JJTKHWSRDDGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride?
2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 52988215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).