N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide

C11H19N5O3S — CID 106342494

IUPACN-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCS(=O)(=O)NC)nn1
InChIInChI=1S/C11H19N5O3S/c1-3-6-13-10-5-4-9(15-16-10)11(17)14-7-8-20(18,19)12-2/h4-5,12H,3,6-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyWCCFLWGTTFHDEG-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.42
Rot. Bonds8

About N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide

N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 106342494) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
PubChem CID106342494
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCS(=O)(=O)NC)nn1
InChIInChI=1S/C11H19N5O3S/c1-3-6-13-10-5-4-9(15-16-10)11(17)14-7-8-20(18,19)12-2/h4-5,12H,3,6-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyWCCFLWGTTFHDEG-UHFFFAOYSA-N
XLogP-0.42
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
N-[2-(ethylsulfamoyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 106340890
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
N-(2-cyclopentyloxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 63832896
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107818061

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide (CID 106342494) is N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCCS(=O)(=O)NC)nn1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is WCCFLWGTTFHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-6-13-10-5-4-9(15-16-10)11(17)14-7-8-20(18,19)12-2/h4-5,12H,3,6-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106342494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).