3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine

C11H21N5O3S — CID 106081777

IUPAC3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H21N5O3S/c1-3-7-12-8-4-9-16(2)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,12H,3-4,7-9H2,1-2H3,(H,13,15)(H,14,17)
InChIKeySNXWVVYDZCQELW-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.25
Rot. Bonds9

About 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine

3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine (PubChem CID 106081777) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine.

Molecular Properties

Compound Name3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
PubChem CID106081777
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H21N5O3S/c1-3-7-12-8-4-9-16(2)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,12H,3-4,7-9H2,1-2H3,(H,13,15)(H,14,17)
InChIKeySNXWVVYDZCQELW-UHFFFAOYSA-N
XLogP-0.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The IUPAC name of 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine (CID 106081777) is 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine.
What is the SMILES notation for 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The canonical SMILES for 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine is CCCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The InChIKey is SNXWVVYDZCQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-3-7-12-8-4-9-16(2)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,12H,3-4,7-9H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine has a molecular weight of 303.39 g/mol, XLogP of -0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine is sourced from PubChem (CID 106081777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).