1-Benzyl-1H-1,2,4-triazole-3,5-diamine
Basic information
- CAS
62176-87-8- Standard SMILES
Nc1nc(N)n(Cc2ccccc2)n1- InChIKey
DTBAHABMYQSEBZ-UHFFFAOYSA-N- Molecular formula
- C9H11N5
- Average molar mass
- 189.22 g/mol
- Monoisotopic mass
- 189.10144537
Names & identifiers
- Preferred name
- 1-Benzyl-1H-1,2,4-triazole-3,5-diamine
- IUPAC
- 1-benzyl-1,2,4-triazole-3,5-diamine
Names & synonyms
1-Benzyl-1H-1,2,4-triazole-3,5-diamine62176-87-8DTXSID70488078RefChem:227904DTXCID40438888SCHEMBL17731606AKOS0175295661-benzyl[1,2,4]triazole-3,5-diamine
Database identifiers
- CAS
62176-87-8- PubChem CID
- 12318331
- DTXSID
DTXSID70488078
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
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Compound notes
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