Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Also Known As: 1,8-Naphthyridine,4-chloro|ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate|ethyl 4-{[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoate|ethyl 4-(((5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl)amino)benzoate|Benzoic acid,4-[[(5,7-diaminopyrimido[5,4-e]-1,2,4-triazin-3-yl)methyl]amino]-, ethyl ester|Ethyl 4-{[(5-amino-7-imino-6,7-dihydropyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoate
| Molecular Formula | C15H16N8O2 |
|---|---|
| Molecular Weight | 340.13962 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.13962 |
| Monoisotopic Mass | 340.13962 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 35357-51-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N=C3N=N2)N)N |
| InChIKey | VVXOWTDZGZTDQJ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate (CAS 35357-51-8), with molecular formula C15H16N8O2 and molecular weight 340.13962 g/mol. IUPAC: ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate.