3-(7-(3-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1119499-77-2
Catalog: |
BB042921 |
Product Name: |
3-(7-(3-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1119499-77-2 |
Synonyms: |
SBB026652; STK400247; ZINC22637884 |
IUPAC Name: | 3-[7-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Description: | 3-(7-(3-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CAS# 1119499-77-2 ) is a useful research chemical. |
Molecular Weight: | 298.30 |
Molecular Formula: | C15H14N4O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC=NC3=NC(=NN23)CCC(=O)O |
InChI: | InChI=1S/C15H14N4O3/c1-22-11-4-2-3-10(9-11)12-7-8-16-15-17-13(18-19(12)15)5-6-14(20)21/h2-4,7-9H,5-6H2,1H3,(H,20,21) |
InChI Key: | TZONFEDKPZHVET-UHFFFAOYSA-N |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.10659032 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.10659032 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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