K9C
Summary
| Name: | 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine |
| Formula: | C10 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 175.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-6-[3-(methylamino)prop-1-ynyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(C#CCNC)nc(N)c1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,5H2,1-2H3,(H2,11,13) |
| InChIKey | InChI | 1.03 | NNABKXZKYMQGRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC#Cc1cc(C)cc(N)n1 |
| SMILES | CACTVS | 3.385 | CNCC#Cc1cc(C)cc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCNC |
