| CAS Number | 1803606-37-2 |
| Catalog Number | AG01BAV5 |
| Chemical Name | 5-(piperidin-2-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride |
| IUPAC Name | 3-piperidin-2-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride |
| InChI | InChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-3-1-2-4-8-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H |
| InChI Key | QIZZEEJMZYBJGZ-UHFFFAOYSA-N |
| MDL Number | MFCD28397757 |
| Molecular Formula | C7H13ClN4O |
| Molecular Weight | 204.6573 |
| SMILES | Cl.O=C1NNC(C2NCCCC2)=N1 |
| Synonyms | 5-(piperidin-2-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride,
1803606-37-2,
Z2070538084,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.658g/mol |
| Monoisotopic Mass | 204.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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