M5H
3-imidazolidin-2-yl-2~{H}-indazole
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
---|---|
Name | 3-imidazolidin-2-yl-2~{H}-indazole |
Systematic Name (OpenEye OEToolkits) | 3-imidazolidin-2-yl-2~{H}-indazole |
Formula | C10 H12 N4 |
Molecular Weight | 188.229 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C1CNC(N1)c2[nH]nc3ccccc23 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c([nH]n2)C3NCCN3 |
Canonical SMILES | CACTVS | 3.385 | C1CNC(N1)c2[nH]nc3ccccc23 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c([nH]n2)C3NCCN3 |
InChI | InChI | 1.03 | InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14) |
InChIKey | InChI | 1.03 | UPWGIYRWPULZDG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 145994374 |