3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine

C10H19N5O3S — CID 106081863

IUPAC3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H19N5O3S/c1-3-11-7-4-8-15(2)19(17,18)14-9-5-6-10(16)13-12-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyOULCBHJKABRUFS-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.64
Rot. Bonds8

About 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine

3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine (PubChem CID 106081863) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine.

Molecular Properties

Compound Name3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
PubChem CID106081863
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H19N5O3S/c1-3-11-7-4-8-15(2)19(17,18)14-9-5-6-10(16)13-12-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyOULCBHJKABRUFS-UHFFFAOYSA-N
XLogP-0.64
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.64
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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Related Compounds

CID 106081707
CID 106081707
CID 106081714
CID 106081714
CID 106081724
CID 106081724
CID 106081734
CID 106081734
CID 106081735
CID 106081735
CID 106081753
CID 106081753
CID 106081754
CID 106081754
CID 106081777
CID 106081777
CID 106081778
CID 106081778
CID 106081781
CID 106081781
CID 106081795
CID 106081795
CID 106081798
CID 106081798

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The IUPAC name of 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine (CID 106081863) is 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine.
What is the SMILES notation for 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The canonical SMILES for 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine is CCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The InChIKey is OULCBHJKABRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-3-11-7-4-8-15(2)19(17,18)14-9-5-6-10(16)13-12-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,14)(H,13,16).
What are the key properties of 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine has a molecular weight of 289.36 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine is sourced from PubChem (CID 106081863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).