Basic information
- Standard SMILES
Clc1cccc(-c2nc(CC3CCn4c(-c5ccncc5)nnc43)no2)c1- InChIKey
LZRFAVQCCQUXGZ-UHFFFAOYSA-N- Molecular formula
- C19H15ClN6O
- Average molar mass
- 378.8 g/mol
Names & identifiers
- Preferred name
- 7-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
- IUPAC
- 5-(3-chlorophenyl)-3-[(3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)methyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL4328872LZRFAVQCCQUXGZ-UHFFFAOYSA-N7-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
Database identifiers
- PubChem CID
- 11222684
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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