Basic information
- Standard SMILES
c1cc2c3c(c[nH]c3c1)Cn1cnnc1-2- InChIKey
OZQDKQPZMWYYNN-UHFFFAOYSA-N- Molecular formula
- C11H8N4
- Average molar mass
- 196.21 g/mol
Names & identifiers
- Preferred name
- 4,6-Dihydropyrrolo[4,3,2-de]-s-triazolo[3,4-a]isoquinoline
- IUPAC
- 3,4,6,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,8,11,13-hexaene
Names & synonyms
SCHEMBL11851262OZQDKQPZMWYYNN-UHFFFAOYSA-N4,6-Dihydropyrrolo[4,3,2-de]-s-triazolo[3,4-a]isoquinoline
Database identifiers
- PubChem CID
- 136354597
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
1 records
Compound notes
Loading…