UWS
6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one
Created: | 2020-06-03 |
Last modified: | 2020-06-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one |
Systematic Name (OpenEye OEToolkits) | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3-one |
Formula | C10 H11 N3 O2 |
Molecular Weight | 205.213 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N=2N(Cc1cc(C)no1)C(C=CC=2C)=O |
SMILES | CACTVS | 3.385 | CC1=NN(Cc2onc(C)c2)C(=O)C=C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)CN2C(=O)C=CC(=N2)C |
Canonical SMILES | CACTVS | 3.385 | CC1=NN(Cc2onc(C)c2)C(=O)C=C1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)CN2C(=O)C=CC(=N2)C |
InChI | InChI | 1.03 | InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3 |
InChIKey | InChI | 1.03 | PLCLGFAKZPXQFY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 95207831 |