CHN171 — CID 118566821
[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]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 118566821) has the molecular formula CHN171 and a molecular weight of 2408.22 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)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]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)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]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 |
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| PubChem CID | 118566821 |
| Molecular Formula | CHN171 |
| Molecular Weight | 2408.22 g/mol |
| Exact Mass | 2407.53 |
| 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)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]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/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/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/N=N/N=N/N=N/N=N/N=N/N=N/N=N/C#N |
| InChI | InChI=1S/CHN171/c2-1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-84-86-88-90-92-94-96-98-100-102-104-106-108-110-112-114-116-118-120-122-124-126-128-130-132-134-136-138-140-142-144-146-148-150-152-154-156-158-160-162-164-166-168-170-172-171-169-167-165-163-161-159-157-155-153-151-149-147-145-143-141-139-137-135-133-131-129-127-125-123-121-119-117-115-113-111-109-107-105-103-101-99-97-95-93-91-89-87-85-83-81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3/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+,57-55+,58-56+,61-59+,62-60+,65-63+,66-64+,69-67+,70-68+,73-71+,74-72+,77-75+,78-76+,81-79+,82-80+,85-83+,86-84+,89-87+,90-88+,93-91+,94-92+,97-95+,98-96+,101-99+,102-100+,105-103+,106-104+,109-107+,110-108+,113-111+,114-112+,117-115+,118-116+,121-119+,122-120+,125-123+,126-124+,129-127+,130-128+,133-131+,134-132+,137-135+,138-136+,141-139+,142-140+,145-143+,146-144+,149-147+,150-148+,153-151+,154-152+,157-155+,158-156+,161-159+,162-160+,165-163+,166-164+,169-167+,170-168+,172-171+ |
| InChIKey | QQFCJQATGLXIQD-LBUKGLNSSA-N |
| XLogP | 31.34 |
| TPSA | 2136.48 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 172 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2408.22 |
| LogP ≤ 5 | 31.34 |
| 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'} |
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