I4S
Summary
Name: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
Formula: | C5 H7 N3 O |
Formal charge: | 0 |
Formula weight: | 125.129 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9) |
InChIKey | InChI | 1.06 | WZMOVTWDPULYIG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(=O)C(=NN1)C |
SMILES | CACTVS | 3.385 | CC1=NC(=O)C(=NN1)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NNC(=NC1=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NNC(=NC1=O)C |