| CAS Number | 933725-10-1 |
| Catalog Number | AG01E88L(AGN-PC-0WOBCO) |
| Chemical Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine |
| IUPAC Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine |
| InChI | InChI=1S/C8H14N4/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3,(H,10,11,12) |
| InChI Key | LQRBMNJCBSBPDJ-UHFFFAOYSA-N |
| MDL Number | MFCD21045072 |
| Molecular Formula | C8H14N4 |
| Molecular Weight | 166.2236 |
| SMILES | CC1NN=C(C2CNCCC2)N=1 |
| Synonyms | 3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine,
AKOS010531973,
AKOS016042563,
MCULE-4091295975,
NE17919,
Y-8466,
3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine,
3-(3-Methyl-1H-1,2,4-triazol-5-yl)piperidine, AldrichCPR,
933725-10-1,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.228g/mol |
| Monoisotopic Mass | 166.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number