About [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine (PubChem CID 102877958) has the molecular formula C11H14N4
and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine.
Molecular Properties
| Compound Name | [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine |
| PubChem CID | 102877958 |
| Molecular Formula | C11H14N4 |
| Molecular Weight | 202.26 g/mol |
| Exact Mass | 202.12 |
| IUPAC Name | [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine |
| SMILES | Cc1cncc(Cn2ccnc2CN)c1 |
| InChI | InChI=1S/C11H14N4/c1-9-4-10(7-13-6-9)8-15-3-2-14-11(15)5-12/h2-4,6-7H,5,8,12H2,1H3 |
| InChIKey | NRMGIMVPRYQRTE-UHFFFAOYSA-N |
| XLogP | 1.09 |
| TPSA | 56.73 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.26 |
| LogP ≤ 5 | 1.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine (CID 102877958) is [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine is Cc1cncc(Cn2ccnc2CN)c1.
What is the InChIKey of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is NRMGIMVPRYQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-10(7-13-6-9)8-15-3-2-14-11(15)5-12/h2-4,6-7H,5,8,12H2,1H3.
What are the key properties of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 102877958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).