CHN185 — CID 123967721
[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide (PubChem CID 123967721) has the molecular formula CHN185 and a molecular weight of 2604.31 g/mol. Its IUPAC name is [[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide.
| Compound Name | [[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide |
|---|---|
| PubChem CID | 123967721 |
| Molecular Formula | CHN185 |
| Molecular Weight | 2604.31 g/mol |
| Exact Mass | 2603.58 |
| IUPAC Name | [[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(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]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]cyanamide |
| SMILES | [H]/N=N/N=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=N/N=N/C#N |
| InChI | InChI=1S/CHN185/c2-1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-84-86-88-90-92-94-96-98-100-102-104-106-108-110-112-114-116-118-120-122-124-126-128-130-132-134-136-138-140-142-144-146-148-150-152-154-156-158-160-162-164-166-168-170-172-174-176-178-180-182-184-186-185-183-181-179-177-175-173-171-169-167-165-163-161-159-157-155-153-151-149-147-145-143-141-139-137-135-133-131-129-127-125-123-121-119-117-115-113-111-109-107-105-103-101-99-97-95-93-91-89-87-85-83-81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3/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?,173-171?,174-172?,177-175?,178-176?,181-179?,182-180?,185-183?,186-184? |
| InChIKey | KEDWZBYEWGACKP-VXPLHXAVSA-N |
| XLogP | 33.91 |
| TPSA | 2309.52 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 91 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2604.31 |
| LogP ≤ 5 | 33.91 |
| 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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