5H-s-Triazolo(4,3-d)(1,4)diazepine, 6,7,8,9-tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
125008-48-2- Standard SMILES
COc1cc(-c2nnc3n2CCN(C)CC3)cc(OC)c1OC- InChIKey
GFDNGCNIXDIPMV-UHFFFAOYSA-N- Molecular formula
- C16H22N4O3
- Average molar mass
- 318.37 g/mol
- Monoisotopic mass
- 318.16919058
Names & identifiers
- Preferred name
- 5H-s-Triazolo(4,3-d)(1,4)diazepine, 6,7,8,9-tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 7-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
Names & synonyms
5H-s-Triazolo(4,3-d)(1,4)diazepine, 6,7,8,9-tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-6,7,8,9-Tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-5H-s-triazolo(4,3-d)(1,4)diazepine125008-48-27-Metylo-3-(3,4,5-trimetoksybenzoilo)-6,7,8,9-tetrahydro-5H-s-triazolo(4,3-d)(1,4)diazepinyDTXSID50154547RefChem:305834DTXCID30770387-Methyl-3-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Database identifiers
- CAS
125008-48-2- PubChem CID
- 3079271
- DTXSID
DTXSID50154547
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
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Related reactions
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Compound notes
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