| CAS Number | 2126176-91-6 |
| Catalog Number | AG01EHTP |
| Chemical Name | 4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride |
| IUPAC Name | 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine;dihydrochloride |
| InChI | InChI=1S/C9H16N4.2ClH/c1-13-7-11-12-9(13)6-8-2-4-10-5-3-8;;/h7-8,10H,2-6H2,1H3;2*1H |
| InChI Key | LITPVRJEYNHAKQ-UHFFFAOYSA-N |
| MDL Number | MFCD28895658 |
| Molecular Formula | C9H18Cl2N4 |
| Molecular Weight | 253.1720 |
| SMILES | Cl.Cl.CN1C(CC2CCNCC2)=NN=C1 |
| Synonyms | 4-[(4-Methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride,
2126176-91-6,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.171g/mol |
| Monoisotopic Mass | 252.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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