Methyl 3-phenyl-1,2,4-triazolo[3,4-a]isoquinoline-6-carboxylate
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Basic information
- Standard SMILES
COC(=O)c1cn2c(-c3ccccc3)nnc2c2ccccc12- InChIKey
MPADZHMCZAEMNI-UHFFFAOYSA-N- Molecular formula
- C18H13N3O2
- Average molar mass
- 303.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-phenyl-1,2,4-triazolo[3,4-a]isoquinoline-6-carboxylate
- IUPAC
- methyl 3-phenyl-[1,2,4]triazolo[3,4-a]isoquinoline-6-carboxylate
Names & synonyms
SCHEMBL4917291MPADZHMCZAEMNI-UHFFFAOYSA-NMethyl 3-phenyl-1,2,4-triazolo[3,4-a]isoquinoline-6-carboxylate
Database identifiers
- PubChem CID
- 22136174
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
3 records
Compound notes
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