Basic information
- Standard SMILES
C#CCOc1cc(-n2nc3n(c2=O)CCCC3O)c(Cl)cc1Cl- InChIKey
GZLOEZWALILOJX-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2N3O3
- Average molar mass
- 354.2 g/mol
Names & identifiers
- Preferred name
- 5,6,7,8-tetrahydro-2-[2,4-dichloro-5-(2-propynyloxy)phenyl]-8-hydroxy-1,2,4-triazolo[4,3-alpha]pyridin-3(2H)-one
- IUPAC
- 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-8-hydroxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL8567909GZLOEZWALILOJX-UHFFFAOYSA-N5,6,7,8-tetrahydro-2-[2,4-dichloro-5-(2-propynyloxy)phenyl]-8-hydroxy-1,2,4-triazolo[4,3-alpha]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 88322986
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Related reactions
1 records
Compound notes
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