methyl 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate

Base Information

• Chemical Name: methyl 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate
• CAS No.: 860785-03-1
• Molecular Formula: C12H13N5O2
• Molecular Weight: 259.26
• DSSTox Substance ID: DTXSID001331400
• ChEMBL ID: CHEMBL1442569
• Mol file: 860785-03-1.mol

Synonyms:860785-03-1;methyl 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate;methyl 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)triazole-4-carboxylate;methyl 1-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}-1H-1,2,3-triazole-4-carboxylate;MLS000763837;CHEMBL1442569;DTXSID001331400;HMS2733D22;AKOS005081496;SMR000336469;12T-0816;methyl1-{4-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}-1H-1,2,3-triazole-4-carboxylate

Chemical Property of methyl 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

• PKA: -1.19±0.20(Predicted)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 259.10692467
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

METHYL-1-(4-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-2-YL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C2CCCC2=NC(=N1)N3C=C(N=N3)C(=O)OC