Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Basic information
- CAS
35171-07-4- Standard SMILES
CCOC(=O)c1ccc(NCc2nnc3nc(N)nc(N)c3n2)cc1- InChIKey
VVXOWTDZGZTDQJ-UHFFFAOYSA-N- Molecular formula
- C15H16N8O2
- Average molar mass
- 340.34 g/mol
- Monoisotopic mass
- 340.13962178
Names & identifiers
- Preferred name
- Ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
- IUPAC
- ethyl 4-[(5,7-diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoate
Names & synonyms
35171-07-4NSC152637DTXSID20956616NSC-152637Ethyl 4-{[(5-amino-7-imino-6,7-dihydropyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}benzoate
Database identifiers
- CAS
35171-07-4- PubChem CID
- 290044
- DTXSID
DTXSID20956616
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…