Basic information
- Standard SMILES
CN1c2ccncc2NC(c2ccccc2)c2cccn21- InChIKey
MJDRHBINEXIVSV-UHFFFAOYSA-N- Molecular formula
- C17H16N4
- Average molar mass
- 276.34 g/mol
- Monoisotopic mass
- 276.13749653
Names & identifiers
- Preferred name
- 10,11-dihydro-5-methyl-10-phenyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
- IUPAC
- 2-methyl-8-phenyl-2,3,9,12-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
Names & synonyms
SCHEMBL9789005MJDRHBINEXIVSV-UHFFFAOYSA-N10,11-dihydro-5-methyl-10-phenyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
Database identifiers
- PubChem CID
- 14601950
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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