Basic information
- CAS
60443-87-0- Standard SMILES
c1ccc(Cc2n[nH]c(Cc3ccccc3)n2)cc1- InChIKey
YXCFPGIJSWQXQZ-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Names & identifiers
- Preferred name
- 3,5-dibenzyl-1H-1,2,4-triazole
- IUPAC
- 3,5-dibenzyl-1H-1,2,4-triazole
Names & synonyms
3,5-dibenzyl-1H-1,2,4-triazole60443-87-0NSC517877starbld0025458SCHEMBL11581317DTXSID30325773NSC-517877Z927194838
Database identifiers
- CAS
60443-87-0- PubChem CID
- 351012
- DTXSID
DTXSID30325773
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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