| CAS Number | 1221724-59-9 |
| Catalog Number | AG00J2P6(AGN-PC-0WOQO5) |
| Chemical Name | 4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride |
| IUPAC Name | 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C8H14N4.2ClH/c1-6-10-8(12-11-6)7-2-4-9-5-3-7;;/h7,9H,2-5H2,1H3,(H,10,11,12);2*1H |
| InChI Key | NRKZSTHLHDSZLM-UHFFFAOYSA-N |
| MDL Number | MFCD28024762 |
| Molecular Formula | C8H16Cl2N4 |
| Molecular Weight | 239.1454 |
| SMILES | N1C(C)=NNC=1C1CCNCC1.Cl.Cl |
| Synonyms | 4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride,
4-(3-Methyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride,
1221724-59-9,
EN300-61236,
AC1Q3A89,
SCHEMBL18788547,
CTK6B2709,
MFCD28024762,
AKOS026741200,
AKOS030631154,
MCULE-9721840764,
4045479-25G,
Z1259335847,
N/A,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.144g/mol |
| Monoisotopic Mass | 238.075g/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