TQU
Summary
Name: | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine |
Formula: | C11 H9 N5 |
Formal charge: | 0 |
Formula weight: | 211.223 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine |
OpenEye OEToolkits | 1.7.6 | 4-(1,2,4-triazol-1-yl)quinolin-6-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccc(c2cc(N)ccc12)n3ncnc3 |
InChI | InChI | 1.03 | InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2 |
InChIKey | InChI | 1.03 | GXRXDACPFFYIDQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc2nccc(n3cncn3)c2c1 |
SMILES | CACTVS | 3.370 | Nc1ccc2nccc(n3cncn3)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)c(ccn2)n3cncn3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)c(ccn2)n3cncn3 |