n-(6-Chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)acetamide
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Basic information
- CAS
6722-86-7- Standard SMILES
CC(=O)Nc1cc(Cl)nn2c(-c3ccccc3)nnc12- InChIKey
BCRWWQFQKVTQEN-UHFFFAOYSA-N- Molecular formula
- C13H10ClN5O
- Average molar mass
- 287.7 g/mol
- Monoisotopic mass
- 287.0573877
Names & identifiers
- Preferred name
- n-(6-Chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)acetamide
- IUPAC
- N-(6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)acetamide
- English name
- N-(3-chloro-9-phenyl-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen -5-yl)acetamide
- Molecular formula
- C13H10ClN5O
- Molecular weight
- 287.7
Names & synonyms
n-(6-chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)acetamide6722-86-7NSC75292DTXSID80291414NSC-75292DS-009567AM-944/40947576Acetamide,n-(6-chloro-3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-8-yl)-Acetamide, N-(6-chloro-3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-8-yl)-N-(3-chloro-9-phenyl-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen -5-yl)acetamide
Database identifiers
- CAS
6722-86-7- PubChem CID
- 252964
- DTXSID
DTXSID80291414
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- 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
- 363
Related reactions
0 records
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Compound notes
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