Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nnc2C(C)O)cc1- InChIKey
SUFYRYHHOCPMEO-UHFFFAOYSA-N- Molecular formula
- C17H16N4O4
- Average molar mass
- 340.33 g/mol
- Monoisotopic mass
- 340.117155
Names & identifiers
- Preferred name
- 5-[4-nitrophenyl]-4-(4-methoxyphenyl)-methyl-4H-1,2,4-triazol-3-methanol
- IUPAC
- 1-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethanol
Names & synonyms
SCHEMBL9423217SUFYRYHHOCPMEO-UHFFFAOYSA-N5-[4-nitrophenyl]-4-(4-methoxyphenyl)-methyl-4H-1,2,4-triazol-3-methanol
Database identifiers
- PubChem CID
- 13633433
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
1 records
Compound notes
Loading…