Basic information
- Standard SMILES
CC(Oc1cccc(Cl)c1)c1ccnc2ncnn12- InChIKey
ZRVJOPMTANXDOX-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0621387
Names & identifiers
- Preferred name
- 7-[1-(3-Chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 7-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
165383-25-57-[1-(3-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine7-(1-(3-Chlorophenoxy)ethyl)(1,2,4)triazolo[1,5-a]pyrimidine7-[1-(3-chlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine7-(1-(3-chlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidineOprea1_739105SCHEMBL7556695ZRVJOPMTANXDOX-UHFFFAOYSA-NMFCD00243650AKOS0050855862L-0017-[1-(3-chlorophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 3326260
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
2 records
Compound notes
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