L2K
3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
Created: | 2019-07-16 |
Last modified: | 2020-04-15 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine |
Systematic Name (OpenEye OEToolkits) | 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine |
Formula | C11 H10 F2 N4 |
Molecular Weight | 236.221 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1F)C2=NNC3=NCCN3C2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=NNC3=NCCN3C2)F)F |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc(cc1F)C2=NNC3=NCCN3C2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2=NNC3=NCCN3C2)F)F |
InChI | InChI | 1.03 | InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16) |
InChIKey | InChI | 1.03 | HQCSFWFWWSDEFP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2800035 |