Basic information
- Standard SMILES
CCCCCCCc1c[nH]nn1- InChIKey
VUJWLAFEONTUON-UHFFFAOYSA-N- Molecular formula
- C9H17N3
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.14224756
Names & identifiers
- Preferred name
- 4-n-Heptyl-1,2,3-triazole
- IUPAC
- 4-heptyl-2H-triazole
Names & synonyms
4-n-heptyl-1,2,3-triazoleSCHEMBL5601502VUJWLAFEONTUON-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22770157
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
Related reactions
1 records
Compound notes
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