Methyl 6-methoxy-3-(1H-tetrazol-1-yl)-1H-indole-2-carboxylate
Basic information
- CAS
924858-77-5- Standard SMILES
COC(=O)c1[nH]c2cc(OC)ccc2c1-n1cnnn1- InChIKey
FIQMQAPJFCLTIJ-UHFFFAOYSA-N- Molecular formula
- C12H11N5O3
- Average molar mass
- 273.25 g/mol
- Monoisotopic mass
- 273.08618923
Names & identifiers
- Preferred name
- Methyl 6-methoxy-3-(1H-tetrazol-1-yl)-1H-indole-2-carboxylate
- IUPAC
- methyl 6-methoxy-3-(tetrazol-1-yl)-1H-indole-2-carboxylate
Names & synonyms
924858-77-5methyl 6-methoxy-3-(1H-tetrazol-1-yl)-1H-indole-2-carboxylateRefChem:356342methyl 6-methoxy-3-(tetrazol-1-yl)-1H-indole-2-carboxylatemethyl 6-methoxy-3-(1{H}-tetrazol-1-yl)-1{H}-indole-2-carboxylateCHEMBL4943276FIQMQAPJFCLTIJ-UHFFFAOYSA-NDTXSID101180571MFCD08848259SBB014597STK691826AKOS005604102
Show more names
CS-0325831methyl 6-methoxy-3-(1,2,3,4-tetraazolyl)indole-2-carboxylate1H-Indole-2-carboxylic acid, 6-methoxy-3-(1H-1,2,3,4-tetrazol-1-yl)-, methyl ester
Database identifiers
- CAS
924858-77-5- PubChem CID
- 16765293
- DTXSID
DTXSID101180571- ChEMBL
CHEMBL4943276
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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