3-(1-Azepanylmethyl)-6-(5-methyl-3-isoxazolyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
1260952-86-0- Standard SMILES
Cc1cc(-c2nn3c(CN4CCCCCC4)nnc3s2)no1- InChIKey
WXIZVGQMDFIKNP-UHFFFAOYSA-N- Molecular formula
- C14H18N6OS
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Azepanylmethyl)-6-(5-methyl-3-isoxazolyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-[3-(azepan-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-methyl-1,2-oxazole
- English name
- 3-(azepan-1-ylmethyl)-6-(5-methyl-1,2-oxazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C14H18N6OS
- Molecular weight
- 318.4
Names & synonyms
STL086179AKOS0057138283-(1-azepanylmethyl)-6-(5-methyl-3-isoxazolyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1260952-86-0AO-365/434633433-(azepan-1-ylmethyl)-6-(5-methylisoxazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-(3-(azepan-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-methylisoxazole3-(azepan-1-ylmethyl)-6-(5-methyl-1,2-oxazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-[3-(azepan-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-methyl-1,2-oxazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-[(hexahydro-1H-azepin-1-yl)methyl]-6-(5-methyl-3-isoxazolyl)-
Database identifiers
- CAS
1260952-86-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…