Basic information
- CAS
165383-52-8- Standard SMILES
CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12- InChIKey
FCEPUTGEUCVRRI-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.06213865
Names & identifiers
- Preferred name
- 7-[1-(4-Chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- [1,2,4]Triazolo[1,5-a]pyrimidine, 7-[(1R)-1-(4-chlorophenoxy)ethyl]-
- Molecular formula
- C13H11ClN4O
- Molecular weight
- 274.70564
Names & synonyms
7-[1-(4-chlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine165383-12-0MFCD001387587-[1-(4-chlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine1D-092165383-52-87-(1-(4-Chlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidineOprea1_519944SCHEMBL6617306CHEMBL4303701DTXSID60396633FCEPUTGEUCVRRI-UHFFFAOYSA-N
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-[(1R)-1-(4-chlorophenoxy)ethyl]-
AKOS005081887BTS-72-664BRD-A65793993-001-01-67-[1-(4-chlorophenoxy)ethyl]1,2,4-triazolo[1,5-a]pyrimidine7-[1-(4-chlorophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine(+)-7-[1-(4-chlorophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine(-)-7-[1-(4-chlorophenoxy)ethyl]-1,2,4-triazolo[1,5-a]pyrimidine
Database identifiers
- CAS
165383-52-8- PubChem CID
- 3801739
- DTXSID
DTXSID60396633- ChEMBL
CHEMBL4303701- EC Number
- 605-405-1
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
- 298
Chemistry & industry
Applications
DescriptionBTS-72664 is a novel CNS drug with potential anticonvulsant, neuroprotective, and antimigraine properties.
Suppliers1 total
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
8 records
Compound notes
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