About 1-cyclohexyl-5-methylsulfanyltriazole
1-cyclohexyl-5-methylsulfanyltriazole (PubChem CID 134912337) has the molecular formula C9H15N3S
and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-cyclohexyl-5-methylsulfanyltriazole.
Molecular Properties
| Compound Name | 1-cyclohexyl-5-methylsulfanyltriazole |
|---|
| PubChem CID | 134912337 |
|---|
| Molecular Formula | C9H15N3S |
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| Molecular Weight | 197.31 g/mol |
|---|
| Exact Mass | 197.10 |
|---|
| IUPAC Name | 1-cyclohexyl-5-methylsulfanyltriazole |
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| SMILES | CSc1cnnn1C1CCCCC1 |
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| InChI | InChI=1S/C9H15N3S/c1-13-9-7-10-11-12(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3 |
|---|
| InChIKey | RHAPONUDIINCMY-UHFFFAOYSA-N |
|---|
| XLogP | 2.51 |
|---|
| TPSA | 30.71 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.31 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclohexyl-5-methylsulfanyltriazole?
The IUPAC name of 1-cyclohexyl-5-methylsulfanyltriazole (CID 134912337) is 1-cyclohexyl-5-methylsulfanyltriazole.
What is the SMILES notation for 1-cyclohexyl-5-methylsulfanyltriazole?
The canonical SMILES for 1-cyclohexyl-5-methylsulfanyltriazole is CSc1cnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methylsulfanyltriazole?
The InChIKey is RHAPONUDIINCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-13-9-7-10-11-12(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-5-methylsulfanyltriazole?
1-cyclohexyl-5-methylsulfanyltriazole has a molecular weight of 197.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methylsulfanyltriazole is sourced from PubChem (CID 134912337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).