Basic information
- CAS
136723-01-8- Standard SMILES
CCCN1Cc2cccc3nnn(c23)CC1C- InChIKey
YYXDPSDTVPZYQQ-UHFFFAOYSA-N- Molecular formula
- C13H18N4
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.15314659
Names & identifiers
- Preferred name
- 1,2,3-Triazolo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, monohydrochloride
- IUPAC
- 11-methyl-10-propyl-1,2,3,10-tetrazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
Names & synonyms
136723-01-81,2,3-Triazolo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, monohydrochloride1,2,3-Triazolo[4,5,1-jk][1,4]benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, monohydrochlorideCHEMBL431439DTXSID009295255-Methyl-6-propyl-4,5,6,7-tetrahydro[1,2,3]triazolo[4,5,1-jk][1,4]benzodiazepine
Database identifiers
- CAS
136723-01-8- PubChem CID
- 453602
- DTXSID
DTXSID00929525- ChEMBL
CHEMBL431439
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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