5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Base Information

• Chemical Name: 5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
• CAS No.: 68560-67-8
• Molecular Formula: C13H11N5O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10436331
• Nikkaji Number: J227.550C
• Wikidata: Q82251602
• Mol file: 68560-67-8.mol

Synonyms:5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one;68560-67-8;SCHEMBL492278;DTXSID10436331;2-o-propoxyphenyl-8-azapurin-6-one;NCGC00024894-05;NCGC00024894-06;5-(2-Propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one

Chemical Property of 5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Chemical Property:

• PSA: 88.10000
• LogP: -0.83950
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 269.09127461
• Heavy Atom Count: 20
• Complexity: 535

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC=C1C2=NC(=O)C3=NN=NC3=N2