Basic information
- Standard SMILES
CC(=Cc1ccccc1)Cn1cc(CCCn2ccnn2)nn1- InChIKey
XMJYNWDSZQTTQS-UHFFFAOYSA-N- Molecular formula
- C17H20N6
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-Methyl-3-phenyl-allyl)-4-(3-[1,2,3]triazol-1-yl-propyl)-1H-[1,2,3]triazole
- IUPAC
- 1-(2-methyl-3-phenylprop-2-enyl)-4-[3-(triazol-1-yl)propyl]triazole
Names & synonyms
SCHEMBL1523329XMJYNWDSZQTTQS-UHFFFAOYSA-N1-(2-Methyl-3-phenyl-allyl)-4-(3-[1,2,3]triazol-1-yl-propyl)-1H-[1,2,3]triazole
Database identifiers
- PubChem CID
- 67064082
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
4 records
Compound notes
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