dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate

Base Information

• Chemical Name: dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate
• CAS No.: 292836-34-1
• Molecular Formula: C8H8N6O5
• Molecular Weight: 268.18600
• DSSTox Substance ID: DTXSID101133332
• Mol file: 292836-34-1.mol

Synonyms:dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate;Oprea1_842921;CBDivE_003103;DTXSID101133332;HMS1608E04;STK837680;ZINC00972752;AKOS000617806;AG-690/32514005;SR-01000399564;SR-01000399564-1;dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4,5-dicarboxylate;1H-[1,2,3]Triazole-4,5-dicarboxylic acid, 1-(4-aminofurazan-3-yl)-, dimethyl ester;4,5-Dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate;292836-34-1

Chemical Property of dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate

Chemical Property:

• PSA: 148.25000
• LogP: -0.61310
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 268.05561738
• Heavy Atom Count: 19
• Complexity: 368

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(N(N=N1)C2=NON=C2N)C(=O)OC

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