9RM
Summary
Name: | 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one |
Formula: | C11 H9 F3 N4 O |
Formal charge: | 0 |
Formula weight: | 270.211 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one |
OpenEye OEToolkits | 1.7.6 | 6-methyl-5-[[3-(trifluoromethyl)phenyl]amino]-4H-1,2,4-triazin-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N=NC(=C(Nc1cc(ccc1)C(F)(F)F)N2)C |
InChI | InChI | 1.03 | InChI=1S/C11H9F3N4O/c1-6-9(16-10(19)18-17-6)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H2,15,16,18,19) |
InChIKey | InChI | 1.03 | DDMOHNSTFUBVJB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |