3-{7-[4-(Acetylamino)Phenyl][1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl}Propanoic Acid - CAS 1245807-23-1
Catalog: |
BB053047 |
Product Name: |
3-{7-[4-(Acetylamino)Phenyl][1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl}Propanoic Acid |
CAS: |
1245807-23-1 |
Synonyms: |
3-{7-[4-(acetylamino)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoicacid |
IUPAC Name: | 3-[7-(4-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 325.32 |
Molecular Formula: | C16H15N5O3 |
Canonical SMILES: | CC(=O)NC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)CCC(=O)O |
InChI: | InChI=1S/C16H15N5O3/c1-10(22)18-12-4-2-11(3-5-12)13-8-9-17-16-19-14(20-21(13)16)6-7-15(23)24/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,23,24) |
InChI Key: | ILZBPAYMRDPDSV-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.11748936 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.11748936 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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