| CAS Number | 1609407-68-2 |
| Catalog Number | AG00J2G3(AGN-PC-0WRAOR) |
| Chemical Name | 4-(4H-1,2,4-triazol-4-yl)piperidine dihydrochloride |
| IUPAC Name | 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C7H12N4.2ClH/c1-3-8-4-2-7(1)11-5-9-10-6-11;;/h5-8H,1-4H2;2*1H |
| InChI Key | JBYQNIAHNRQKBD-UHFFFAOYSA-N |
| MDL Number | MFCD00170013 |
| Molecular Formula | C7H14Cl2N4 |
| Molecular Weight | 225.1189 |
| SMILES | N1(C2CCNCC2)C=NN=C1.Cl.Cl |
| Synonyms | 4-(4H-1,2,4-Triazol-4-yl)piperidine dihydrochloride,
1609407-68-2,
ZX-CM009525,
MFCD26959441,
4042462-25G,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.117g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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