Basic information
- Standard SMILES
Nc1c(Nc2ccc(-c3cccnc3)cc2)c(=O)c1=O- InChIKey
XTCLUGOMPITVBF-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2
- Average molar mass
- 265.27 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-[4-(3-Pyridyl)Anilino]-3-Cyclobutene-1,2-Dione
- IUPAC
- 3-amino-4-(4-pyridin-3-ylanilino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL7905958XTCLUGOMPITVBF-UHFFFAOYSA-N3-Amino-4-[4-(3-Pyridyl)Anilino]-3-Cyclobutene-1,2-Dione
Database identifiers
- PubChem CID
- 9816757
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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