About N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine
N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine (PubChem CID 105083750) has the molecular formula C13H15N3
and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine.
Molecular Properties
| Compound Name | N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine |
| PubChem CID | 105083750 |
| Molecular Formula | C13H15N3 |
| Molecular Weight | 213.28 g/mol |
| Exact Mass | 213.13 |
| IUPAC Name | N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine |
| SMILES | CNC(c1ccccc1)c1cnc(C)cn1 |
| InChI | InChI=1S/C13H15N3/c1-10-8-16-12(9-15-10)13(14-2)11-6-4-3-5-7-11/h3-9,13-14H,1-2H3 |
| InChIKey | YJYWWCOXUHVZCE-UHFFFAOYSA-N |
| XLogP | 2.09 |
| TPSA | 37.81 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.28 |
| LogP ≤ 5 | 2.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine?
The IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine (CID 105083750) is N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine is CNC(c1ccccc1)c1cnc(C)cn1.
What is the InChIKey of N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine?
The InChIKey is YJYWWCOXUHVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-8-16-12(9-15-10)13(14-2)11-6-4-3-5-7-11/h3-9,13-14H,1-2H3.
What are the key properties of N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine?
N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine has a molecular weight of 213.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 105083750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).