KRQ
Summary
Name: | ~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
Formula: | C11 H10 N6 |
Formal charge: | 0 |
Formula weight: | 226.237 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16) |
InChIKey | InChI | 1.03 | AXNJRTBQYGIJON-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1nccc(n1)c2cnn3ncccc23 |
SMILES | CACTVS | 3.385 | CNc1nccc(n1)c2cnn3ncccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1nccc(n1)c2cnn3c2cccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNc1nccc(n1)c2cnn3c2cccn3 |