| CAS Number | 955027-70-0 |
| Catalog Number | AG01A89O(AGN-PC-0WOR22) |
| Chemical Name | 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride |
| IUPAC Name | 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;hydrochloride |
| InChI | InChI=1S/C8H14N4.ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3,(H,10,11,12);1H |
| InChI Key | HAMRTBMETWTURB-UHFFFAOYSA-N |
| MDL Number | MFCD16817396 |
| Molecular Formula | C8H15ClN4 |
| Molecular Weight | 202.6845 |
| SMILES | Cl.CC1NN=C(C2CCNCC2)N=1 |
| Synonyms | 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride,
955027-70-0,
AC1Q39I5,
SCHEMBL2902954,
AKOS026741465,
NE51326,
EN300-61098,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.686g/mol |
| Monoisotopic Mass | 202.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number