9-(3,4-Dimethoxyphenyl)-5-methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
Basic information
- CAS
67433-62-9- Standard SMILES
COc1ccc(-c2nnc3cc(C)n4nnnc4n23)cc1OC- InChIKey
AFWDKJKFYMWJFT-UHFFFAOYSA-N- Molecular formula
- C14H13N7O2
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11307268
Names & identifiers
- Preferred name
- 9-(3,4-Dimethoxyphenyl)-5-methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
- IUPAC
- 12-(3,4-dimethoxyphenyl)-7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
Names & synonyms
67433-62-9R5B19Q5RWZUNII-R5B19Q5RWZNSC 3496369-(3,4-Dimethoxyphenyl)-5-methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidineNSC-349636DTXSID202177799-(3,4-Dimethoxyphenyl)-5-methyltetraazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine9-(3,4-DIMETHOXYPHENYL)-5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINETETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE, 9-(3,4-DIMETHOXYPHENYL)-5-METHYL-9-(3,4-Dimethoxyphenyl)-5-methyltetrazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidineRefChem:107649
Show more names
DTXCID20140270NSC3496369-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[[?]]tetrazolo[[?]]pyrimidine
Database identifiers
- CAS
67433-62-9- PubChem CID
- 336209
- DTXSID
DTXSID20217779- UNII
- R5B19Q5RWZ
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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