About 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine
3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine (PubChem CID 105213234) has the molecular formula C16H16N4
and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine.
Molecular Properties
| Compound Name | 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine |
| PubChem CID | 105213234 |
| Molecular Formula | C16H16N4 |
| Molecular Weight | 264.33 g/mol |
| Exact Mass | 264.14 |
| IUPAC Name | 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine |
| SMILES | NNC(c1cccnc1N)c1cccc2ccccc12 |
| InChI | InChI=1S/C16H16N4/c17-16-14(9-4-10-19-16)15(20-18)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,15,20H,18H2,(H2,17,19) |
| InChIKey | QEAWHVJTFMRZOC-UHFFFAOYSA-N |
| XLogP | 2.37 |
| TPSA | 76.96 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 264.33 |
| LogP ≤ 5 | 2.37 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
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 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine (CID 105213234) is 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine is NNC(c1cccnc1N)c1cccc2ccccc12.
What is the InChIKey of 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine?
The InChIKey is QEAWHVJTFMRZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-16-14(9-4-10-19-16)15(20-18)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,15,20H,18H2,(H2,17,19).
What are the key properties of 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine?
3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 105213234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).