5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid

C15H19N3O2S — CID 80517882

IUPAC5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCCc2ccsc2)c(C(=O)O)c1CC
InChIInChI=1S/C15H19N3O2S/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHKBQBISRIHZGNW-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.02
Rot. Bonds7

About 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid

5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517882) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
PubChem CID80517882
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NCCc2ccsc2)c(C(=O)O)c1CC
InChIInChI=1S/C15H19N3O2S/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyHKBQBISRIHZGNW-UHFFFAOYSA-N
XLogP3.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid (CID 80517882) is 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid is CCc1nnc(NCCc2ccsc2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid?
The InChIKey is HKBQBISRIHZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)16-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-thiophen-3-ylethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).