K41
Summary
Name: | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide |
Formula: | C6 H11 N5 O |
Formal charge: | 0 |
Formula weight: | 169.184 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide |
OpenEye OEToolkits | 2.0.6 | 2-methyl-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)propanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nn(C)nc1NC(=O)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12) |
InChIKey | InChI | 1.03 | MJNGPLNGGSOMFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1nnn(C)n1 |
SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1nnn(C)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)Nc1nnn(n1)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)Nc1nnn(n1)C |