AC1O4RKW
3-benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid
Also Known As: 3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine,4-methy|3-benzyl-2,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine; 4-methylbenzenesulfonic acid|3-Benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid|3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 4,7-dihydro-3-(phenylmethyl)-, mono(4-methylbenzenesulfonate)|3H-1,3-Triazolo[4,5-d]pyrimidin-5-amine, 4,7-dihydro-3-(phenylmethyl)-, mono(4-methylbenzenesulfonate)|4-Methylbenzene-1-sulfonic acid--3-benzyl-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine (1/1)
| Molecular Formula | C18H20N6O3S |
|---|---|
| Molecular Weight | 400.13177 g/mol |
| LogP | 1.80832 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.13177 |
| Monoisotopic Mass | 400.13177 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 76357-53-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1C2=C(NC(=N1)N)N(N=N2)CC3=CC=CC=C3 |
| InChIKey | OKUYZQNMHHRYMF-UHFFFAOYSA-N |
Product Overview
AC1O4RKW (CAS 76357-53-4), with molecular formula C18H20N6O3S and molecular weight 400.13177 g/mol. IUPAC: 3-benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidin-5-amine;4-methylbenzenesulfonic acid.
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