Basic information
- CAS
7707-60-0- Standard SMILES
c1ccc(-c2n[nH]c(CCCCc3nc(-c4ccccc4)n[nH]3)n2)cc1- InChIKey
MBTWBNYCECEIAW-UHFFFAOYSA-N- Molecular formula
- C20H20N6
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17494466
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3,3'-(1,4-butanediyl)bis[5-phenyl-
- IUPAC
- 3-phenyl-5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)butyl]-1H-1,2,4-triazole
Names & synonyms
1H-1,2,4-Triazole, 3,3'-(1,4-butanediyl)bis[5-phenyl-7707-60-0SCHEMBL11633451DTXSID70344741MBTWBNYCECEIAW-UHFFFAOYSA-N5,5'-(Butane-1,4-diyl)bis(3-phenyl-1H-1,2,4-triazole)5-Phenyl-3-[4-(5-phenyl-1H-1,2,4-triazol-3-yl)butyl]-1H-1,2,4-triazole #
Database identifiers
- CAS
7707-60-0- PubChem CID
- 599094
- DTXSID
DTXSID70344741
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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