3-[(2-Chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
Basic information
- CAS
502686-03-5- Standard SMILES
Nc1n[nH]c(Cc2ccccc2Cl)n1- InChIKey
KPVCYYIFDMVTRV-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4
- Average molar mass
- 208.65 g/mol
- Monoisotopic mass
- 208.051574
Names & identifiers
- Preferred name
- 3-[(2-Chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
- IUPAC
- 5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Names & synonyms
3-[(2-Chlorophenyl)methyl]-1H-1,2,4-triazol-5-amineDTXSID801223429AKOS010529179502686-03-55-[(2-Chlorophenyl)methyl]-4H-1,2,4-triazol-3-amine
Database identifiers
- CAS
502686-03-5- PubChem CID
- 3310784
- DTXSID
DTXSID801223429
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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