5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid

C10H11N5O2S — CID 103294132

IUPAC5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCCSc1nn(-c2cccnn2)c(N)c1C(=O)O
InChIInChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyLHQZJPQIVGTSLG-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.05
Rot. Bonds4

About 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid

5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid (PubChem CID 103294132) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
PubChem CID103294132
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCCSc1nn(-c2cccnn2)c(N)c1C(=O)O
InChIInChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyLHQZJPQIVGTSLG-UHFFFAOYSA-N
XLogP1.05
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid (CID 103294132) is 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid is CCSc1nn(-c2cccnn2)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is LHQZJPQIVGTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17).
What are the key properties of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 265.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 103294132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).