AC1L8X0Q
3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carbonitrile
Also Known As: dioxo(phenyl)[?]carbonitrile|5,7-Etheno-1H,5H-cyclopropa(d)(1,2,4)triazolo(1,2-a)pyridazine-6-carbonitrile, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-|1,3-Dioxo-2-phenylhexahydro-1H,5H-5,7-ethenocyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carbonitrile|5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carbonitrile, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-
| Molecular Formula | C16H12N4O2 |
|---|---|
| Molecular Weight | 292.09604 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.09604 |
| Monoisotopic Mass | 292.09604 |
| Heavy Atoms | 22 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 72012-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N3C4C=CC(N3C2=O)C5C4C5C#N |
| InChIKey | QBJUREIOZGCRQQ-UHFFFAOYSA-N |
Product Overview
AC1L8X0Q (CAS 72012-63-6), with molecular formula C16H12N4O2 and molecular weight 292.09604 g/mol. IUPAC: 3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carbonitrile.
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