7-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid

Base Information

• Chemical Name: 7-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
• CAS No.: 1256643-42-1
• Molecular Formula: C7H6N4O2
• Molecular Weight: 178.14814
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID201183954
• Mol file: 1256643-42-1.mol

Synonyms:1256643-42-1;7-methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid;7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid;7-methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE);OKHCRVRHLQRYGZ-UHFFFAOYSA-N;DTXSID201183954;1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylic acid, 7-methyl-;MFCD18381927;AKOS006317744;AT12161;LS-05114;7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylicacid

Chemical Property of 7-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid

Chemical Property:

• PKA: -2.37±0.41(Predicted)
• PSA: 80.38000
• Density: 1.66±0.1 g/cm3(Predicted)
• LogP: 0.13090
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.04907545
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

7-methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=NN=C(N2C=C1)C(=O)O