AC1LEUKR
4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv3_001185|IDI1_020151|NCGC00172910-01|BAS 01024223|AB00096886-01|AG-690/12869724|BRD-K18804757-001-01-3|2-(pyridin-3-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(3-pyridinyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE|2-(pyridin-3-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.08917 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08917 |
| Monoisotopic Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 333775-29-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CN=CC=C5 |
| InChIKey | MXGGLBCJJCXOCT-UHFFFAOYSA-N |
Product Overview
AC1LEUKR (CAS 333775-29-4), with molecular formula C16H13N5S and molecular weight 307.08917 g/mol. IUPAC: 4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.