C12H17N7 — CID 80927617
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 80927617) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
| Compound Name | 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine |
|---|---|
| PubChem CID | 80927617 |
| Molecular Formula | C12H17N7 |
| Molecular Weight | 259.32 g/mol |
| Exact Mass | 259.15 |
| IUPAC Name | 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine |
| SMILES | CN(C)c1nc(NN)nc(N(C)c2ccccc2)n1 |
| InChI | InChI=1S/C12H17N7/c1-18(2)11-14-10(17-13)15-12(16-11)19(3)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3,(H,14,15,16,17) |
| InChIKey | GCVRPCAMPOSKLV-UHFFFAOYSA-N |
| XLogP | 0.99 |
| TPSA | 83.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 259.32 |
| LogP ≤ 5 | 0.99 |
| H-Bond Donors ≤ 5 | 2 |
| 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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