Ethyl 5-methyl-7-quinolin-1-ium-6-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Basic information
- CAS
6714-80-3- Standard SMILES
CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc2[nH+]cccc2c1- InChIKey
RYRBSOMHDAAZMF-UHFFFAOYSA-O- Molecular formula
- C17H17N6O2+
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.14129881
Names & identifiers
- Preferred name
- Ethyl 5-methyl-7-quinolin-1-ium-6-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-methyl-7-quinolin-1-ium-6-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Names & synonyms
6714-80-3ethyl 5-methyl-7-quinolin-1-ium-6-yl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylateDTXSID804224686-[6-(Ethoxycarbonyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]quinolin-1-ium
Database identifiers
- CAS
6714-80-3- PubChem CID
- 5239285
- DTXSID
DTXSID80422468
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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