About 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 105230863) has the molecular formula C11H16N6
and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine.
Molecular Properties
| Compound Name | 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine |
| PubChem CID | 105230863 |
| Molecular Formula | C11H16N6 |
| Molecular Weight | 232.29 g/mol |
| Exact Mass | 232.14 |
| IUPAC Name | 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine |
| SMILES | Cc1ccncc1C(NN)c1cnn(C)c1N |
| InChI | InChI=1S/C11H16N6/c1-7-3-4-14-5-8(7)10(16-13)9-6-15-17(2)11(9)12/h3-6,10,16H,12-13H2,1-2H3 |
| InChIKey | JDSJTLVVIPYNAZ-UHFFFAOYSA-N |
| XLogP | 0.26 |
| TPSA | 94.78 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 232.29 |
| LogP ≤ 5 | 0.26 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine (CID 105230863) is 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine is Cc1ccncc1C(NN)c1cnn(C)c1N.
What is the InChIKey of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is JDSJTLVVIPYNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-3-4-14-5-8(7)10(16-13)9-6-15-17(2)11(9)12/h3-6,10,16H,12-13H2,1-2H3.
What are the key properties of 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine?
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 232.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).