Basic information
- CAS
791829-90-8- Standard SMILES
CCOC(=O)c1nn(-c2cccc(OC)c2)c2nc(Nc3ccccc3)cc(=O)n12- InChIKey
QFSITNJUDOKMOL-UHFFFAOYSA-N- Molecular formula
- C21H19N5O4
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.1437041
Names & identifiers
- Preferred name
- Ethyl 7-anilino-1-(3-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 7-anilino-1-(3-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
- English name
- ethyl 7-anilino-1-(3-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
- Molecular formula
- C21H19N5O4
- Molecular weight
- 405.40666
Names & synonyms
MLS000701259ethyl 7-anilino-1-(3-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylateSMR000229635ethyl 7-anilino-1-(3-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylateCHEMBL1386200BDBM57622cid_1234444HMS2517O04AO-476/432503337-anilino-1-(3-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester7-anilino-5-keto-1-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl esterethyl 1-(3-methoxyphenyl)-5-oxidanylidene-7-phenylazanyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
Database identifiers
- CAS
791829-90-8- PubChem CID
- 1234444
- ChEMBL
CHEMBL1386200
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 771
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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