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

C9H17N5O3S — CID 106081753

IUPAC3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H17N5O3S/c1-10-6-3-7-14(2)18(16,17)13-8-4-5-9(15)12-11-8/h4-5,10H,3,6-7H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyWNUXOGYEFRMDQO-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.03
Rot. Bonds7

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

3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine (PubChem CID 106081753) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine.

Molecular Properties

Compound Name3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
PubChem CID106081753
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H17N5O3S/c1-10-6-3-7-14(2)18(16,17)13-8-4-5-9(15)12-11-8/h4-5,10H,3,6-7H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyWNUXOGYEFRMDQO-UHFFFAOYSA-N
XLogP-1.03
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.03
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-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The IUPAC name of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine (CID 106081753) is 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine.
What is the SMILES notation for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The canonical SMILES for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine is CNCCCN(C)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
The InChIKey is WNUXOGYEFRMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-10-6-3-7-14(2)18(16,17)13-8-4-5-9(15)12-11-8/h4-5,10H,3,6-7H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine?
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine has a molecular weight of 275.33 g/mol, XLogP of -1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-6-oxo-1H-pyridazine is sourced from PubChem (CID 106081753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).