Basic information
- Standard SMILES
Cc1nc(C)n2nc(-c3cccc([N+](=O)[O-])c3)[nH]c(=O)c12- InChIKey
BMEKDIVNGUMWOP-UHFFFAOYSA-N- Molecular formula
- C13H11N5O3
- Average molar mass
- 285.26 g/mol
- Monoisotopic mass
- 285.08618923
Names & identifiers
- Preferred name
- 5,7-Dimethyl-2-(3-nitrophenyl)imidazo[5,1-f][1,2,4]triazin-4-(3H)one
- IUPAC
- 5,7-dimethyl-2-(3-nitrophenyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Names & synonyms
SCHEMBL5619024BMEKDIVNGUMWOP-UHFFFAOYSA-N5,7-Dimethyl-2-(3-nitrophenyl)imidazo[5,1-f][1,2,4]triazin-4-(3H)one
Database identifiers
- PubChem CID
- 136134644
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
Loading…