N-Methyl-2-(1H-1,2,3-triazol-1-yl)adenosine

Base Information

• Chemical Name: N-Methyl-2-(1H-1,2,3-triazol-1-yl)adenosine
• CAS No.: 918867-99-9
• Molecular Formula: C13H16N8O4
• ChEMBL ID: CHEMBL218450
• DSSTox Substance ID: DTXSID80582394
• Pharos Ligand ID: U8DDVB7VXX2L
• Wikidata: Q82473808

Synonyms:CHEMBL218450;918867-99-9;N-Methyl-2-(1H-1,2,3-triazol-1-yl)adenosine;DTXSID80582394;BDBM50199985;N6-methyl-9-(beta-D-ribofuranosyl)-2-(1,2,3-triazol-1-yl)adenine;(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(1H-1,2,3-triazol-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol

Chemical Property of N-Methyl-2-(1H-1,2,3-triazol-1-yl)adenosine

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 348.12945102
• Heavy Atom Count: 25
• Complexity: 475

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=NC(=N1)N3C=CN=N3)N(C=N2)C4C(C(C(O4)CO)O)O
• Isomeric SMILES: CNC1=C2C(=NC(=N1)N3C=CN=N3)N(C=N2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

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