About 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 118978643) has the molecular formula C17H15N7
and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.
Molecular Properties
| Compound Name | 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine |
| PubChem CID | 118978643 |
| Molecular Formula | C17H15N7 |
| Molecular Weight | 317.36 g/mol |
| Exact Mass | 317.14 |
| IUPAC Name | 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine |
| SMILES | CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1 |
| InChI | InChI=1S/C17H15N7/c1-2-12-9-15(24-8-7-18-11-24)10-19-16(12)13-3-5-14(6-4-13)17-20-22-23-21-17/h3-11H,2H2,1H3,(H,20,21,22,23) |
| InChIKey | FNGUCVMCMUIVKO-UHFFFAOYSA-N |
| XLogP | 2.68 |
| TPSA | 85.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 317.36 |
| LogP ≤ 5 | 2.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (CID 118978643) is 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is FNGUCVMCMUIVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-12-9-15(24-8-7-18-11-24)10-19-16(12)13-3-5-14(6-4-13)17-20-22-23-21-17/h3-11H,2H2,1H3,(H,20,21,22,23).
What are the key properties of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 317.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 118978643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).