About 1-quinolin-2-ylpent-3-ynylhydrazine
1-quinolin-2-ylpent-3-ynylhydrazine (PubChem CID 105218650) has the molecular formula C14H15N3
and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-quinolin-2-ylpent-3-ynylhydrazine.
Molecular Properties
| Compound Name | 1-quinolin-2-ylpent-3-ynylhydrazine |
| PubChem CID | 105218650 |
| Molecular Formula | C14H15N3 |
| Molecular Weight | 225.30 g/mol |
| Exact Mass | 225.13 |
| IUPAC Name | 1-quinolin-2-ylpent-3-ynylhydrazine |
| SMILES | CC#CCC(NN)c1ccc2ccccc2n1 |
| InChI | InChI=1S/C14H15N3/c1-2-3-7-14(17-15)13-10-9-11-6-4-5-8-12(11)16-13/h4-6,8-10,14,17H,7,15H2,1H3 |
| InChIKey | HMKHSVPAMVFYRC-UHFFFAOYSA-N |
| XLogP | 2.15 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.30 |
| LogP ≤ 5 | 2.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-quinolin-2-ylpent-3-ynylhydrazine?
The IUPAC name of 1-quinolin-2-ylpent-3-ynylhydrazine (CID 105218650) is 1-quinolin-2-ylpent-3-ynylhydrazine.
What is the SMILES notation for 1-quinolin-2-ylpent-3-ynylhydrazine?
The canonical SMILES for 1-quinolin-2-ylpent-3-ynylhydrazine is CC#CCC(NN)c1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-ylpent-3-ynylhydrazine?
The InChIKey is HMKHSVPAMVFYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-3-7-14(17-15)13-10-9-11-6-4-5-8-12(11)16-13/h4-6,8-10,14,17H,7,15H2,1H3.
What are the key properties of 1-quinolin-2-ylpent-3-ynylhydrazine?
1-quinolin-2-ylpent-3-ynylhydrazine has a molecular weight of 225.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylpent-3-ynylhydrazine is sourced from PubChem (CID 105218650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).