5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide

C14H21N5OS — CID 103192197

IUPAC5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCN(C(=O)c1sc2nnccc2c1N)C(C)CN(C)C
InChIInChI=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
InChIKeyZWBBFHRPGVSKDP-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.69
Rot. Bonds5

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 Name5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID103192197
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCCN(C(=O)c1sc2nnccc2c1N)C(C)CN(C)C
InChIInChI=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
InChIKeyZWBBFHRPGVSKDP-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).