Ethyl 4-[[4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzoate
Basic information
- CAS
84523-94-4- Standard SMILES
CCOC(=O)c1ccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccc(C)cc3)n2)cc1- InChIKey
JUOLYJBDEMWSAY-UHFFFAOYSA-N- Molecular formula
- C25H24N8O3
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.19713666
Names & identifiers
- Preferred name
- Ethyl 4-[[4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzoate
- IUPAC
- ethyl 4-[[4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzoate
Names & synonyms
84523-94-4NSC368342Ethyl 4-((4-(2-isonicotinoylhydrazineyl)-6-(p-tolylamino)-1,3,5-triazin-2-yl)amino)benzoateethyl 4-[[4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzoateDTXSID80321043NSC-368342Ethyl 4-({4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazin-1-yl]-1,3,5-triazin-2-yl}amino)benzoateethyl 4-[[4-(4-methylanilino)-6-[2-(pyridine-4-carbonyl)hydrazino]-1,3,5-triazin-2-yl]amino]benzoateIsonicotinic acid, [4-[[4-(ethoxycarbonyl)phenyl]amino]-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]hydrazide
Database identifiers
- CAS
84523-94-4- PubChem CID
- 339930
- DTXSID
DTXSID80321043
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 691
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Related reactions
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Compound notes
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