C9H12N6S — CID 80917852
6-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazin-2-amine (PubChem CID 80917852) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazin-2-amine.
| Compound Name | 6-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazin-2-amine |
|---|---|
| PubChem CID | 80917852 |
| Molecular Formula | C9H12N6S |
| Molecular Weight | 236.30 g/mol |
| Exact Mass | 236.08 |
| IUPAC Name | 6-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazin-2-amine |
| SMILES | CC(Nc1cncc(NN)n1)c1nccs1 |
| InChI | InChI=1S/C9H12N6S/c1-6(9-12-2-3-16-9)13-7-4-11-5-8(14-7)15-10/h2-6H,10H2,1H3,(H2,13,14,15) |
| InChIKey | AMGGRYFAOICYER-UHFFFAOYSA-N |
| XLogP | 1.39 |
| TPSA | 88.75 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 236.30 |
| LogP ≤ 5 | 1.39 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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