Basic information
- CAS
67646-18-8- Standard SMILES
CCCCCCc1ncn[nH]1- InChIKey
WRTYTWBAUOUGPF-UHFFFAOYSA-N- Molecular formula
- C8H15N3
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.12659749
Names & identifiers
- Preferred name
- 5-Hexyl-1H-1,2,4-triazole
- IUPAC
- 5-hexyl-1H-1,2,4-triazole
Names & synonyms
5-Hexyl-1H-1,2,4-triazole67646-18-81-(S-Triazin-3-yl)-hexaneSCHEMBL4682829SCHEMBL9111838SCHEMBL21634151DTXSID30339734WRTYTWBAUOUGPF-UHFFFAOYSA-N5-Hexyl-1H-1,2,4-triazole #
Database identifiers
- CAS
67646-18-8- PubChem CID
- 558136
- DTXSID
DTXSID30339734
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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