| CAS Number | 1426290-16-5 |
| Catalog Number | AG01AQFL |
| Chemical Name | 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine hydrochloride |
| IUPAC Name | 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C9H9N5O.ClH/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6;/h1-3,6,10H,4-5H2;1H |
| InChI Key | YMNQIYJOUFRATC-UHFFFAOYSA-N |
| MDL Number | MFCD16652975 |
| Molecular Formula | C9H10ClN5O |
| Molecular Weight | 239.6616 |
| SMILES | Cl.C1C(C2ON=C(C3=NC=CC=N3)N=2)CN1 |
| Synonyms | 2-(5-azetidin-3-yl-1,2,4-oxadiazol-3-yl)pyrimidine hydrochloride,
1426290-16-5,
AKOS026746151,
F2145-0218,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.663g/mol |
| Monoisotopic Mass | 239.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number