Basic information
- Standard SMILES
CN(C)CCCC1Nc2cnccc2N(C)n2cccc21- InChIKey
DMDTXBDTVQGMKV-UHFFFAOYSA-N- Molecular formula
- C16H23N5
- Average molar mass
- 285.39 g/mol
- Monoisotopic mass
- 285.19534575
Names & identifiers
- Preferred name
- 10,11-dihydro-5-methyl-10-[3-(N,N-dimethylamino)propyl]-5H-pyrido-[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
- IUPAC
- N,N-dimethyl-3-(2-methyl-2,3,9,12-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaen-8-yl)propan-1-amine
Names & synonyms
SCHEMBL9789088DMDTXBDTVQGMKV-UHFFFAOYSA-N10,11-dihydro-5-methyl-10-[3-(N,N-dimethylamino)propyl]-5H-pyrido-[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
Database identifiers
- PubChem CID
- 14601952
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
3 records
Compound notes
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