About 2-methyl-5-(triazol-2-yl)pyrazine
2-methyl-5-(triazol-2-yl)pyrazine (PubChem CID 70234442) has the molecular formula C7H7N5
and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-methyl-5-(triazol-2-yl)pyrazine.
Molecular Properties
| Compound Name | 2-methyl-5-(triazol-2-yl)pyrazine |
| PubChem CID | 70234442 |
| Molecular Formula | C7H7N5 |
| Molecular Weight | 161.17 g/mol |
| Exact Mass | 161.07 |
| IUPAC Name | 2-methyl-5-(triazol-2-yl)pyrazine |
| SMILES | Cc1cnc(-n2nccn2)cn1 |
| InChI | InChI=1S/C7H7N5/c1-6-4-9-7(5-8-6)12-10-2-3-11-12/h2-5H,1H3 |
| InChIKey | UCGMIBJBCYTHFQ-UHFFFAOYSA-N |
| XLogP | 0.37 |
| TPSA | 56.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 161.17 |
| LogP ≤ 5 | 0.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-5-(triazol-2-yl)pyrazine?
The IUPAC name of 2-methyl-5-(triazol-2-yl)pyrazine (CID 70234442) is 2-methyl-5-(triazol-2-yl)pyrazine.
What is the SMILES notation for 2-methyl-5-(triazol-2-yl)pyrazine?
The canonical SMILES for 2-methyl-5-(triazol-2-yl)pyrazine is Cc1cnc(-n2nccn2)cn1.
What is the InChIKey of 2-methyl-5-(triazol-2-yl)pyrazine?
The InChIKey is UCGMIBJBCYTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-6-4-9-7(5-8-6)12-10-2-3-11-12/h2-5H,1H3.
What are the key properties of 2-methyl-5-(triazol-2-yl)pyrazine?
2-methyl-5-(triazol-2-yl)pyrazine has a molecular weight of 161.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(triazol-2-yl)pyrazine is sourced from PubChem (CID 70234442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).