| CAS Number | 2137710-44-0 |
| Catalog Number | AG01EJ8F |
| Chemical Name | 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazine dihydrochloride |
| IUPAC Name | 3-benzyl-7-piperazin-1-yltriazolo[4,5-d]pyrimidine;dihydrochloride |
| InChI | InChI=1S/C15H17N7.2ClH/c1-2-4-12(5-3-1)10-22-15-13(19-20-22)14(17-11-18-15)21-8-6-16-7-9-21;;/h1-5,11,16H,6-10H2;2*1H |
| InChI Key | DKOYBLVLKCADEP-UHFFFAOYSA-N |
| MDL Number | MFCD31449511 |
| Molecular Formula | C15H19Cl2N7 |
| Molecular Weight | 368.2643 |
| SMILES | Cl.Cl.C(N1C2=C(C(N3CCNCC3)=NC=N2)N=N1)C1=CC=CC=C1 |
| Synonyms | 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazine dihydrochloride,
2137710-44-0,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.266g/mol |
| Monoisotopic Mass | 367.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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