triazolam   

GtoPdb Ligand ID: 7313

Synonyms: Halcion® | U-33030
triazolam is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Triazolam is a benzodiazepine.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 42.55
Molecular weight 342.04
XLogP 6.12
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
Isomeric SMILES Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
InChI Key JOFWLTCLBGQGBO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1982))
IUPAC Name
8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
International Nonproprietary Names
INN number INN
3409 triazolam
Synonyms
Halcion® | U-33030
Database Links
CAS Registry No. 28911-01-5
ChEMBL Ligand CHEMBL646
DrugBank Ligand DB00897
DrugCentral Ligand 2729
GtoPdb PubChem SID 178103886
PubChem CID 5556
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