N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine
TL;DR: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine (CAS 111098-24-9) is a chemical compound with molecular formula C12H10N8 and molecular weight 266.10284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)-7H-purin-6-amine
Also Known As: starbld0022056, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine, N-(benzotriazol-1-ylmethyl)-7H-purin-6-amine, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-9H-purin-6-amine, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-7H-purin-6-amine
Technical Specifications
| Molecular Formula | C12H10N8 |
| Molecular Weight | 266.10284 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10284 Da |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=NC=NC4=C3NC=N4 |
| InChIKey | NZNWZDWSTKVPNR-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine
Property Insights of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine. Following Lipinski's Rule of Five, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine?
The CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine is 111098-24-9.
What is the molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine?
The molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine is C12H10N8.
What is the molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine?
The molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine is 266.10284 g/mol.
Where can I buy N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine?
You can request a quote for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.