UW6
Summary
Name: | 5-methylpyridazin-3(2H)-one |
Formula: | C5 H6 N2 O |
Formal charge: | 0 |
Formula weight: | 110.114 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-methylpyridazin-3(2H)-one |
OpenEye OEToolkits | 2.0.7 | 4-methyl-1~{H}-pyridazin-6-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(C)C=NN1 |
InChI | InChI | 1.06 | InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8) |
InChIKey | InChI | 1.06 | MMDFKVYPOQFQHP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)NN=C1 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)NN=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)NN=C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)NN=C1 |