Basic information
- CAS
173470-47-8- Standard SMILES
CC(C(=O)O)c1nnnn1-c1nccc2ccccc12- InChIKey
MQDZPRJWKSOUSZ-UHFFFAOYSA-N- Molecular formula
- C13H11N5O2
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.09127461
Names & identifiers
- Preferred name
- 1-(1-Isoquinolinyl)-alpha-methyl-1H-tetrazole-5-acetic acid
- IUPAC
- 2-(1-isoquinolin-1-yltetrazol-5-yl)propanoic acid
Names & synonyms
173470-47-8RefChem:2225081-(1-Isoquinolinyl)-alpha-methyl-1H-tetrazole-5-acetic acidDTXSID6012038692-[1-(Isoquinolin-1-yl)-1H-tetrazol-5-yl]propanoic acid1-(1-Isoquinolinyl)-I+/--methyl-1H-tetrazole-5-acetic acid
Database identifiers
- CAS
173470-47-8- PubChem CID
- 15192571
- DTXSID
DTXSID601203869
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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