MLS003389460
3-benzyl-5-(trichloromethyl)-4,7-dihydrotriazolo[4,5-d]pyrimidine
Also Known As: 3-benzyl-5-(trichloromethyl)-2,7-dihydrotriazolo[4,5-d]pyrimidine|3H-1,2,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-3-(phenylmethyl)-5-(trichloromethyl)-|3-Benzyl-5-(trichloromethyl)-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidine|3H-1,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-3-(phenylmethyl)-5-(trichloromethyl)-|3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE,4,7-DIHYDRO-3-(PHENYLMETHYL)-5-(TRICHLOROMETHYL)-
| Molecular Formula | C12H10Cl3N5 |
|---|---|
| Molecular Weight | 329.00018 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.00018 |
| Monoisotopic Mass | 329.00018 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 58950-34-8 |
|---|---|
| SMILES | C1C2=C(NC(=N1)C(Cl)(Cl)Cl)N(N=N2)CC3=CC=CC=C3 |
| InChIKey | XGBHYWKRLBPQIB-UHFFFAOYSA-N |
Product Overview
MLS003389460 (CAS 58950-34-8), with molecular formula C12H10Cl3N5 and molecular weight 329.00018 g/mol. IUPAC: 3-benzyl-5-(trichloromethyl)-4,7-dihydrotriazolo[4,5-d]pyrimidine.
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