860786-45-4
Product Name:
2-[4-(3-Methoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
Formula:
C12H12N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 244.25 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.09602564 g/mol |
| Monoisotopic Mass | 244.09602564 g/mol |
| Topological Polar Surface Area | 68.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 412 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |