3-(7-(1,3-Dimethyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1174832-47-3
Catalog: |
BB053032 |
Product Name: |
3-(7-(1,3-Dimethyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1174832-47-3 |
Synonyms: |
3-(7-(1,3-Dimethyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoicacid |
IUPAC Name: | 3-[7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 286.29 |
Molecular Formula: | C13H14N6O2 |
Canonical SMILES: | CC1=NN(C=C1C2=CC=NC3=NC(=NN23)CCC(=O)O)C |
InChI: | InChI=1S/C13H14N6O2/c1-8-9(7-18(2)16-8)10-5-6-14-13-15-11(17-19(10)13)3-4-12(20)21/h5-7H,3-4H2,1-2H3,(H,20,21) |
InChI Key: | MUCNKGUXESSFJL-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.11782371 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.11782371 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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