| CAS Number | 67869-92-5 |
| Catalog Number | AG01DIEN(AGN-PC-02SR7B) |
| Chemical Name | 3-Methyl-5-(piperazin-1-yl)-1,2,4-oxadiazole |
| IUPAC Name | 3-methyl-5-piperazin-1-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H12N4O/c1-6-9-7(12-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3 |
| InChI Key | JOFZZOBYMBDDRM-UHFFFAOYSA-N |
| MDL Number | MFCD20665329 |
| Molecular Formula | C7H12N4O |
| Molecular Weight | 168.1964 |
| SMILES | CC1=NOC(=N1)N1CCNCC1 |
| Synonyms | 3-methyl-5-(piperazin-1-yl)-1,2,4-oxadiazole,
67869-92-5,
SCHEMBL11518939,
MFCD20665329,
ZINC60301982,
AKOS022907964,
1-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.2g/mol |
| Monoisotopic Mass | 168.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number