4-Phenyl-1-pyrrolidin-3-yltriazole
Basic information
- Standard SMILES
c1ccc(-c2cn(C3CCNC3)nn2)cc1- InChIKey
YHOATTPSCULFAH-UHFFFAOYSA-N- Molecular formula
- C12H14N4
- Average molar mass
- 214.27 g/mol
- Monoisotopic mass
- 214.12184646
Names & identifiers
- Preferred name
- 4-Phenyl-1-pyrrolidin-3-yltriazole
- IUPAC
- 4-phenyl-1-pyrrolidin-3-yltriazole
Names & synonyms
762211-04-14-phenyl-1-pyrrolidin-3-yltriazole4-phenyl-1-(pyrrolidin-3-yl)-1H-1,2,3-triazoleSCHEMBL9551505EN300-242583
Database identifiers
- PubChem CID
- 19006038
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
1 records
Compound notes
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