Basic information
- CAS
2773-20-8- Standard SMILES
Cc1ccc(N[n+]2cnn(-c3ccc(C)cc3)c2)cc1.[Cl-]- InChIKey
NQQZEUMHEKKSBZ-UHFFFAOYSA-M- Molecular formula
- C16H17ClN4
- Average molar mass
- 300.78 g/mol
- Monoisotopic mass
- 300.1141743
Names & identifiers
- Preferred name
- 4-(4-Methylanilino)-1-(4-methylphenyl)-1H-1,2,4-triazol-4-ium chloride
- IUPAC
- N,1-bis(4-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
Names & synonyms
2773-20-8DTXSID109504264-(4-Methylanilino)-1-(4-methylphenyl)-1H-1,2,4-triazol-4-ium chlorideRefChem:1069975DTXCID5013785864-p-Toluidino-1-p-tolyl-1H-1,2,4-triazolium chloride1H-1,2,4-Triazolium, 4-p-toluidino-1-p-tolyl-, chloride
Database identifiers
- CAS
2773-20-8- PubChem CID
- 200816
- DTXSID
DTXSID10950426
Properties
Computed structural properties
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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