Molecular properties
- Formula
- C17H13ClN4
- Molar mass
- 308.77 g·mol−1
- Exact mass
- 308.0829 Da
- 13
- PubChem CID
- 2118
Molecule record
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
C17H13ClN4
308.77 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 28981-97-7
- 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
- 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-
- 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
- Alplax
- Alprazolam civ
- Alprazolamum
- Alpronax
Show all 24 synonyms
- CHEBI:2611
- DTXCID102577
- DTXSID4022577
- NSC-760140
- Niravam
- Nu-Alpraz
- Restyl
- Solanax
- TUS-1
- Tranquinal
- U-31889
- Xanax
- Xanax XR
- Xanor
- YU55MQ3IZY
- alprazolam
Structure identifiers
- Canonical SMILES
- Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
- Isomeric SMILES
- CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
- InChI
- InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
- InChIKey
- VREFGVBLTWBCJP-UHFFFAOYSA-N
- PubChem CID
- 2118
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.