6AM
4,6-diamino-1,3,5-triazin-2-ol
Created: | 2013-07-22 |
Last modified: | 2021-03-01 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 14 |
Chiral Atom Count | 0 |
Bond Count | 14 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 4,6-diamino-1,3,5-triazin-2-ol |
Synonyms | Ammeline |
Systematic Name (OpenEye OEToolkits) | 4,6-bis(azanyl)-1,3,5-triazin-2-ol |
Formula | C3 H5 N5 O |
Molecular Weight | 127.105 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1nc(nc(n1)N)N |
SMILES | CACTVS | 3.385 | Nc1nc(N)nc(O)n1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1(nc(nc(n1)O)N)N |
Canonical SMILES | CACTVS | 3.385 | Nc1nc(N)nc(O)n1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1(nc(nc(n1)O)N)N |
InChI | InChI | 1.03 | InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9) |
InChIKey | InChI | 1.03 | MASBWURJQFFLOO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 135408770, 5281298, 12583 |
ChEBI | CHEBI:28646 |
CCDC/CSD | LEJYIJ, LEJYAB, LEJYEF, LEJYIJ01 |