3-(7-Isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1245808-02-9
Catalog: |
BB053368 |
Product Name: |
3-(7-Isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1245808-02-9 |
Synonyms: |
3-(7-Isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoicacid |
IUPAC Name: | 3-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
Molecular Weight: | 234.25 |
Molecular Formula: | C11H14N4O2 |
Canonical SMILES: | CC(C)C1=CC=NC2=NC(=NN12)CCC(=O)O |
InChI: | InChI=1S/C11H14N4O2/c1-7(2)8-5-6-12-11-13-9(14-15(8)11)3-4-10(16)17/h5-7H,3-4H2,1-2H3,(H,16,17) |
InChI Key: | OBZSBYUOHAWCEG-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.1116757 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.1116757 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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