CHN53 — CID 155790057
[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-(iminohydrazinylidene)hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide (PubChem CID 155790057) has the molecular formula CHN53 and a molecular weight of 755.39 g/mol. Its IUPAC name is [(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-(iminohydrazinylidene)hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide.
| Compound Name | [(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-(iminohydrazinylidene)hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide |
|---|---|
| PubChem CID | 155790057 |
| Molecular Formula | CHN53 |
| Molecular Weight | 755.39 g/mol |
| Exact Mass | 755.17 |
| IUPAC Name | [(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-(iminohydrazinylidene)hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide |
| SMILES | [H]/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/C#N |
| InChI | InChI=1S/CHN53/c2-1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3/h3H/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+,25-23+,26-24+,29-27+,30-28+,33-31+,34-32+,37-35+,38-36+,41-39+,42-40+,45-43+,46-44+,49-47+,50-48+,53-51+,54-52+ |
| InChIKey | PCNQCQUULZCAJM-AYQNCIICSA-N |
| XLogP | 9.68 |
| TPSA | 678.00 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 54 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 755.39 |
| LogP ≤ 5 | 9.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|