3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine

C11H19N5O2S — CID 106084052

IUPAC3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H19N5O2S/c1-16(9-3-7-12-10-5-6-10)19(17,18)15-11-4-2-8-13-14-11/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,14,15)
InChIKeyCTEHGFLUKJAUBS-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.21
Rot. Bonds8

About 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine

3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine (PubChem CID 106084052) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
PubChem CID106084052
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H19N5O2S/c1-16(9-3-7-12-10-5-6-10)19(17,18)15-11-4-2-8-13-14-11/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,14,15)
InChIKeyCTEHGFLUKJAUBS-UHFFFAOYSA-N
XLogP0.21
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
CID 106057758
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
CID 106084170
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
CID 106031029
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine?
The IUPAC name of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine (CID 106084052) is 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine.
What is the SMILES notation for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine?
The canonical SMILES for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine is CN(CCCNC1CC1)S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine?
The InChIKey is CTEHGFLUKJAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-16(9-3-7-12-10-5-6-10)19(17,18)15-11-4-2-8-13-14-11/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,14,15).
What are the key properties of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine?
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine has a molecular weight of 285.37 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine is sourced from PubChem (CID 106084052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).