About 2,5-bis(2-methylpropyl)pyrazine
2,5-bis(2-methylpropyl)pyrazine (PubChem CID 12722500) has the molecular formula C12H20N2
and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)pyrazine.
Molecular Properties
| Compound Name | 2,5-bis(2-methylpropyl)pyrazine |
|---|
| PubChem CID | 12722500 |
|---|
| Molecular Formula | C12H20N2 |
|---|
| Molecular Weight | 192.31 g/mol |
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| Exact Mass | 192.16 |
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| IUPAC Name | 2,5-bis(2-methylpropyl)pyrazine |
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| SMILES | CC(C)Cc1cnc(CC(C)C)cn1 |
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| InChI | InChI=1S/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H3 |
|---|
| InChIKey | WSRPXRPLNPKUCF-UHFFFAOYSA-N |
|---|
| XLogP | 2.87 |
|---|
| TPSA | 25.78 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 192.31 |
| LogP ≤ 5 | 2.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,5-bis(2-methylpropyl)pyrazine?
The IUPAC name of 2,5-bis(2-methylpropyl)pyrazine (CID 12722500) is 2,5-bis(2-methylpropyl)pyrazine.
What is the SMILES notation for 2,5-bis(2-methylpropyl)pyrazine?
The canonical SMILES for 2,5-bis(2-methylpropyl)pyrazine is CC(C)Cc1cnc(CC(C)C)cn1.
What is the InChIKey of 2,5-bis(2-methylpropyl)pyrazine?
The InChIKey is WSRPXRPLNPKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)pyrazine?
2,5-bis(2-methylpropyl)pyrazine has a molecular weight of 192.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)pyrazine is sourced from PubChem (CID 12722500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).