3-(3-Ethoxy-4-nitrophenyl)-4-methyl-4H-1,2,4-triazole
Basic information
- Standard SMILES
CCOc1cc(-c2nncn2C)ccc1[N+](=O)[O-]- InChIKey
RTPXMKRLZDJRPR-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.09094026
Names & identifiers
- Preferred name
- 3-(3-Ethoxy-4-nitrophenyl)-4-methyl-4H-1,2,4-triazole
- IUPAC
- 3-(3-ethoxy-4-nitrophenyl)-4-methyl-1,2,4-triazole
Names & synonyms
3-(3-Ethoxy-4-nitrophenyl)-4-methyl-4H-1,2,4-triazole1578247-84-3starbld0041718SCHEMBL15507322RTPXMKRLZDJRPR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89995677
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
4 records
Compound notes
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