Basic information
- Standard SMILES
CN(C)c1ncc(-c2ccc3nnc(CNC(=O)OC(C)(C)C)n3n2)s1- InChIKey
QSDNJAHBAQMPNX-UHFFFAOYSA-N- Molecular formula
- C16H21N7O2S
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (6-(2-(dimethylamino)thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
- IUPAC
- tert-butyl N-[[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]carbamate
Names & synonyms
SCHEMBL9910489QSDNJAHBAQMPNX-UHFFFAOYSA-NDB-1598881151801-86-3Tert-butyl ((6-(2-(dimethylamino)thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamatetert-butyl (6-(2-(dimethylamino)thiazol-5-yl)-[1,2,4]-triazolo[4,3-b]pyridazin-3-yl)methylcarbamatetert-butyl (6-(2-(dimethylamino)thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
Database identifiers
- PubChem CID
- 57691069
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
5 records
Compound notes
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