5-Methyl[1,2,4]triazolo[3,4-a]isoquinoline
Basic information
- CAS
27107-35-3- Standard SMILES
Cc1cc2ccccc2c2nncn12- InChIKey
CJULVXJUDSJPDO-UHFFFAOYSA-N- Molecular formula
- C11H9N3
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.0796473
Names & identifiers
- Preferred name
- 5-Methyl[1,2,4]triazolo[3,4-a]isoquinoline
- IUPAC
- 5-methyl-[1,2,4]triazolo[3,4-a]isoquinoline
Names & synonyms
27107-35-3NSC3037755-Methyl[1,2,4]triazolo[3,4-a]isoquinolineDTXSID40316490NSC-3037755-methyl-s-triazolo[3,4-a]isoquinoline
Database identifiers
- CAS
27107-35-3- PubChem CID
- 327709
- DTXSID
DTXSID40316490
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
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Related reactions
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Compound notes
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