About 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 103192197) has the molecular formula C14H21N5OS
and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide.
Molecular Properties
| Compound Name | 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide |
| PubChem CID | 103192197 |
| Molecular Formula | C14H21N5OS |
| Molecular Weight | 307.42 g/mol |
| Exact Mass | 307.15 |
| IUPAC Name | 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide |
| SMILES | CCN(C(=O)c1sc2nnccc2c1N)C(C)CN(C)C |
| InChI | InChI=1S/C14H21N5OS/c1-5-19(9(2)8-18(3)4)14(20)12-11(15)10-6-7-16-17-13(10)21-12/h6-7,9H,5,8,15H2,1-4H3 |
| InChIKey | ZWBBFHRPGVSKDP-UHFFFAOYSA-N |
| XLogP | 1.69 |
| TPSA | 75.35 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 307.42 |
| LogP ≤ 5 | 1.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide (CID 103192197) is 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide is CCN(C(=O)c1sc2nnccc2c1N)C(C)CN(C)C.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ZWBBFHRPGVSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-19(9(2)8-18(3)4)14(20)12-11(15)10-6-7-16-17-13(10)21-12/h6-7,9H,5,8,15H2,1-4H3.
What are the key properties of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 103192197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).