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

C11H16N2O3S — CID 80518280

IUPAC5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(SCCO)c(C(=O)O)c1CC
InChIInChI=1S/C11H16N2O3S/c1-3-7-8(4-2)12-13-10(17-6-5-14)9(7)11(15)16/h14H,3-6H2,1-2H3,(H,15,16)
InChIKeyYUXGJRXRKOXEMN-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.38
Rot. Bonds6

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

5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid (PubChem CID 80518280) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid
PubChem CID80518280
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(SCCO)c(C(=O)O)c1CC
InChIInChI=1S/C11H16N2O3S/c1-3-7-8(4-2)12-13-10(17-6-5-14)9(7)11(15)16/h14H,3-6H2,1-2H3,(H,15,16)
InChIKeyYUXGJRXRKOXEMN-UHFFFAOYSA-N
XLogP1.38
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.38
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-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid (CID 80518280) is 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid is CCc1nnc(SCCO)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid?
The InChIKey is YUXGJRXRKOXEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-7-8(4-2)12-13-10(17-6-5-14)9(7)11(15)16/h14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(2-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.38, 6 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-hydroxyethylsulfanyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80518280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).