Basic information
- Standard SMILES
O=C(O)CCn1nc2ccc(Cl)nn2c1=O- InChIKey
FLFNSCZEVUOKPJ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4O3
- Average molar mass
- 242.62 g/mol
Names & identifiers
- Preferred name
- 2-(2-Carboxyethyl)-6-chloro-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on
- IUPAC
- 3-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)propanoic acid
Names & synonyms
SCHEMBL11472038FLFNSCZEVUOKPJ-UHFFFAOYSA-N2-(2-carboxyethyl)-6-chloro-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on
Database identifiers
- PubChem CID
- 20344360
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 443
Related reactions
4 records
Compound notes
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