AC1LDEJK
6-(3-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: NCGC00068857-02|6-(3-methoxyphenyl)-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|3-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene|5-[6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-1H-pyrazole|6-(3-methoxyphenyl)-3-(3-methyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|6-(3-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H12N6OS |
|---|---|
| Molecular Weight | 312.0793 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0793 |
| Monoisotopic Mass | 312.0793 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 907985-85-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(S3)C4=CC(=CC=C4)OC |
| InChIKey | AQGRMWFIKZCJLR-UHFFFAOYSA-N |
Product Overview
AC1LDEJK (CAS 907985-85-7), with molecular formula C14H12N6OS and molecular weight 312.0793 g/mol. IUPAC: 6-(3-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
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