3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride

C6H10ClN3O — CID 71757643

IUPAC3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCN2)no1
InChIInChI=1S/C6H9N3O.ClH/c1-2-5(7-3-1)6-8-4-10-9-6;/h4-5,7H,1-3H2;1H
InChIKeyZIHSYSOJEMCOEM-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.92
Rot. Bonds1

About 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride

3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 71757643) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID71757643
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCN2)no1
InChIInChI=1S/C6H9N3O.ClH/c1-2-5(7-3-1)6-8-4-10-9-6;/h4-5,7H,1-3H2;1H
InChIKeyZIHSYSOJEMCOEM-UHFFFAOYSA-N
XLogP0.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 71757643) is 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2CCCN2)no1.
What is the InChIKey of 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZIHSYSOJEMCOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c1-2-5(7-3-1)6-8-4-10-9-6;/h4-5,7H,1-3H2;1H.
What are the key properties of 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 71757643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).