3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

C9H14ClN3O — CID 138040071

IUPAC3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC(c2nc(C3CC3)no2)CN1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7;/h6-7,10H,1-5H2;1H
InChIKeyAMMIBFDNQYNUAV-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.45
Rot. Bonds2

About 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride

3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 138040071) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID138040071
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC(c2nc(C3CC3)no2)CN1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7;/h6-7,10H,1-5H2;1H
InChIKeyAMMIBFDNQYNUAV-UHFFFAOYSA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 138040071) is 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is C1CC(c2nc(C3CC3)no2)CN1.Cl.
What is the InChIKey of 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is AMMIBFDNQYNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7;/h6-7,10H,1-5H2;1H.
What are the key properties of 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride?
3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 138040071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).