TL;DR: 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol (CAS 159599-43-6) is a chemical compound with molecular formula C13H14N6O and molecular weight 270.1229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
Also Known As: ASN 07369592, 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol, 2-[(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol, 2-[[3-(Phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]amino]ethanol
| Molecular Formula | C13H14N6O |
| Molecular Weight | 270.1229 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.1229 Da |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=N2)NCCO |
| InChIKey | VBQBRXDKLWZEPA-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol. Following Lipinski's Rule of Five, 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol is 159599-43-6.
The molecular formula of 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol is C13H14N6O.
The molecular weight of 2-(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylamino)-ethanol is 270.1229 g/mol.
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