| CAS Number | 1211590-58-7 |
| Catalog Number | AG01ACB2 |
| Chemical Name | 4-[(1H-1,2,4-Triazol-1-yl)methyl]piperidine |
| IUPAC Name | 4-(1,2,4-triazol-1-ylmethyl)piperidine |
| InChI | InChI=1S/C8H14N4/c1-3-9-4-2-8(1)5-12-7-10-6-11-12/h6-9H,1-5H2 |
| InChI Key | ZLGCTFLARAWVND-UHFFFAOYSA-N |
| MDL Number | MFCD16075995 |
| Molecular Formula | C8H14N4 |
| Molecular Weight | 166.2236 |
| SMILES | C(N1N=CN=C1)C1CCNCC1 |
| Synonyms | 4-(1H-1,2,4-triazol-1-ylmethyl)piperidine,
1211590-58-7,
F2145-0716,
SCHEMBL15785125,
ZINC43497799,
AKOS010953289,
MCULE-6695241875,
NE21672,
FT-0757552,
4-(1H-1,2,4-triazol-1-ylmethyl)piperidine dihydrochloride,
|
| Complexity | 133 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.228g/mol |
| Monoisotopic Mass | 166.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number