About 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (PubChem CID 107647318) has the molecular formula C12H14N4S
and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.
Molecular Properties
| Compound Name | 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine |
| PubChem CID | 107647318 |
| Molecular Formula | C12H14N4S |
| Molecular Weight | 246.34 g/mol |
| Exact Mass | 246.09 |
| IUPAC Name | 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine |
| SMILES | CSc1ccccc1Nc1cccc(NN)n1 |
| InChI | InChI=1S/C12H14N4S/c1-17-10-6-3-2-5-9(10)14-11-7-4-8-12(15-11)16-13/h2-8H,13H2,1H3,(H2,14,15,16) |
| InChIKey | RFAKIGUUSVUNQZ-UHFFFAOYSA-N |
| XLogP | 2.83 |
| TPSA | 62.97 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.34 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (CID 107647318) is 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is CSc1ccccc1Nc1cccc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The InChIKey is RFAKIGUUSVUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-17-10-6-3-2-5-9(10)14-11-7-4-8-12(15-11)16-13/h2-8H,13H2,1H3,(H2,14,15,16).
What are the key properties of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is sourced from PubChem (CID 107647318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).