Basic information
- Standard SMILES
CCc1nnc(C=O)n1-c1ccccc1C(N)(N)c1ccccc1- InChIKey
AUACVUOSNKTXHC-UHFFFAOYSA-N- Molecular formula
- C18H19N5O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15896025
Names & identifiers
- Preferred name
- 4-[alpha-amino-alpha-amino-alpha-phenyl-o-tolyl]-5-ethyl-4H-1,2,4-triazole-3-carboxaldehyde
- IUPAC
- 4-[2-[diamino(phenyl)methyl]phenyl]-5-ethyl-1,2,4-triazole-3-carbaldehyde
Names & synonyms
SCHEMBL11834416AUACVUOSNKTXHC-UHFFFAOYSA-N4-[alpha-amino-alpha-amino-alpha-phenyl-o-tolyl]-5-ethyl -4H-1,2,4-triazole-3-carboxaldehyde
Database identifiers
- PubChem CID
- 21521604
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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