7-(1-Ethyl-1H-pyrazol-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1171033-76-3
Catalog: |
BB048151 |
Product Name: |
7-(1-Ethyl-1H-pyrazol-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1171033-76-3 |
Synonyms: |
7-(1-ethylpyrazol-3-yl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 7-(1-ethylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 7-(1-Ethyl-1H-pyrazol-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 1171033-76-3 ) is a useful research chemical. |
Molecular Weight: | 258.24 |
Molecular Formula: | C11H10N6O2 |
Canonical SMILES: | CCN1C=CC(=N1)C2=CC=NC3=NC(=NN23)C(=O)O |
InChI: | InChI=1S/C11H10N6O2/c1-2-16-6-4-7(14-16)8-3-5-12-11-13-9(10(18)19)15-17(8)11/h3-6H,2H2,1H3,(H,18,19) |
InChI Key: | OCPJIOSKJGDASQ-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.08652358 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.08652358 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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