About 3,4-dimethyl-3,5-dihydro-2H-pyrazine
3,4-dimethyl-3,5-dihydro-2H-pyrazine (PubChem CID 56616260) has the molecular formula C6H12N2
and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,4-dimethyl-3,5-dihydro-2H-pyrazine.
Molecular Properties
| Compound Name | 3,4-dimethyl-3,5-dihydro-2H-pyrazine |
|---|
| PubChem CID | 56616260 |
|---|
| Molecular Formula | C6H12N2 |
|---|
| Molecular Weight | 112.18 g/mol |
|---|
| Exact Mass | 112.10 |
|---|
| IUPAC Name | 3,4-dimethyl-3,5-dihydro-2H-pyrazine |
|---|
| SMILES | CC1CN=CCN1C |
|---|
| InChI | InChI=1S/C6H12N2/c1-6-5-7-3-4-8(6)2/h3,6H,4-5H2,1-2H3 |
|---|
| InChIKey | SZOVFDMKYYGKMX-UHFFFAOYSA-N |
|---|
| XLogP | 0.39 |
|---|
| TPSA | 15.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 112.18 |
| LogP ≤ 5 | 0.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 3,4-dimethyl-3,5-dihydro-2H-pyrazine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 3,4-dimethyl-3,5-dihydro-2H-pyrazine?
The IUPAC name of 3,4-dimethyl-3,5-dihydro-2H-pyrazine (CID 56616260) is 3,4-dimethyl-3,5-dihydro-2H-pyrazine.
What is the SMILES notation for 3,4-dimethyl-3,5-dihydro-2H-pyrazine?
The canonical SMILES for 3,4-dimethyl-3,5-dihydro-2H-pyrazine is CC1CN=CCN1C.
What is the InChIKey of 3,4-dimethyl-3,5-dihydro-2H-pyrazine?
The InChIKey is SZOVFDMKYYGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-5-7-3-4-8(6)2/h3,6H,4-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,5-dihydro-2H-pyrazine?
3,4-dimethyl-3,5-dihydro-2H-pyrazine has a molecular weight of 112.18 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,5-dihydro-2H-pyrazine is sourced from PubChem (CID 56616260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).