3-(Pyrrolidin-3-yl)-1,2,4-oxadiazole Hydrochloride - CAS 2126161-03-1
Catalog: |
BB058375 |
Product Name: |
3-(Pyrrolidin-3-yl)-1,2,4-oxadiazole Hydrochloride |
CAS: |
2126161-03-1 |
Synonyms: |
3-(Pyrrolidin-3-yl)-1,2,4-oxadiazole hydrochloride; 3-pyrrolidin-3-yl-1,2,4-oxadiazole; hydrochloride; 3-(PYRROLIDIN-3-YL)-1,2,4-OXADIAZOLE HCL; 3-(Pyrrolidin-3-yl)-1,2,4-oxadiazolehydrochloride |
IUPAC Name: | 3-pyrrolidin-3-yl-1,2,4-oxadiazolehydrochloride |
Molecular Weight: | 175.62 |
Molecular Formula: | C6H9N3O·HCl |
Canonical SMILES: | C1CNCC1C2=NOC=N2.Cl |
InChI: | InChI=1S/C6H9N3O.ClH/c1-2-7-3-5(1)6-8-4-10-9-6/h4-5,7H,1-3H21H |
InChI Key: | JKIHKSJIZCWVLA-UHFFFAOYSA-N |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0512396 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0512396 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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