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9RM : Summary
Code ![](/pdbe/static/images/help.png)
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9RM
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H9 F3 N4 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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270.211 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C2N=NC(=C(Nc1cc(ccc1)C(F)(F)F)N2)C |
SMILES
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CACTVS |
3.385 |
CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | 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) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DDMOHNSTFUBVJB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2014-11-05
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Last modified at ![](/pdbe/static/images/help.png)
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2015-02-13
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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