7-(4-Methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1018125-61-5
Catalog: |
BB052519 |
Product Name: |
7-(4-Methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1018125-61-5 |
Synonyms: |
7-(p-Tolyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Molecular Weight: | 254.24 |
Molecular Formula: | C13H10N4O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)C(=O)O |
InChI: | InChI=1S/C13H10N4O2/c1-8-2-4-9(5-3-8)10-6-7-14-13-15-11(12(18)19)16-17(10)13/h2-7H,1H3,(H,18,19) |
InChI Key: | FANUHTHOFQXEBM-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.08037557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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