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

C11H19N5O3S — CID 106081724

IUPAC3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H19N5O3S/c1-16(8-2-7-12-9-3-4-9)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,9,12H,2-4,7-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyQQNYZXQHKPWOBI-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.50
Rot. Bonds8

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

3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine (PubChem CID 106081724) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
PubChem CID106081724
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H19N5O3S/c1-16(8-2-7-12-9-3-4-9)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,9,12H,2-4,7-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyQQNYZXQHKPWOBI-UHFFFAOYSA-N
XLogP-0.50
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.50
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-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The IUPAC name of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine (CID 106081724) is 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine.
What is the SMILES notation for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The canonical SMILES for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine is CN(CCCNC1CC1)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
The InChIKey is QQNYZXQHKPWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-16(8-2-7-12-9-3-4-9)20(18,19)15-10-5-6-11(17)14-13-10/h5-6,9,12H,2-4,7-8H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine?
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine has a molecular weight of 301.37 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-6-oxo-1H-pyridazine is sourced from PubChem (CID 106081724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).