N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)acetamide
Basic information
- CAS
894067-38-0- Standard SMILES
CC(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1- InChIKey
JWXBJXUVTGHINB-UHFFFAOYSA-N- Molecular formula
- C14H13N5O
- Average molar mass
- 267.29 g/mol
- Monoisotopic mass
- 267.11201006
Names & identifiers
- Preferred name
- N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)acetamide
- IUPAC
- N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
Names & synonyms
894067-38-0N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)acetamideN-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamideMLS000685770CHEMBL1375135DTXSID701320707HMS1656K06HMS2767J20AKOS024701753SMR000324293F2508-0224N-[4-(3-Methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
Database identifiers
- CAS
894067-38-0- PubChem CID
- 7217828
- DTXSID
DTXSID701320707- ChEMBL
CHEMBL1375135
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility7.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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