| CAS Number | 1803561-25-2 |
| Catalog Number | AG01B9BO |
| Chemical Name | tert-Butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;hydrochloride |
| InChI | InChI=1S/C15H25N5O2.ClH/c1-15(2,3)22-14(21)19-8-9-20-12(10-19)17-18-13(20)11-4-6-16-7-5-11;/h11,16H,4-10H2,1-3H3;1H |
| InChI Key | XTGLBQKTGLLKHC-UHFFFAOYSA-N |
| MDL Number | MFCD28383802 |
| Molecular Formula | C15H26ClN5O2 |
| Molecular Weight | 343.8522 |
| SMILES | Cl.CC(OC(N1CC2N(C(C3CCNCC3)=NN=2)CC1)=O)(C)C |
| Synonyms | 1803561-25-2,
tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate hydrochloride,
Z2017842821,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.856g/mol |
| Monoisotopic Mass | 343.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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