1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide

C15H20N8O2S — CID 122327369

IUPAC1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCc1ccn(-c2ccc(NCCNS(=O)(=O)c3cn(C)c(C)n3)nn2)n1
InChIInChI=1S/C15H20N8O2S/c1-11-6-9-23(21-11)14-5-4-13(19-20-14)16-7-8-17-26(24,25)15-10-22(3)12(2)18-15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,19)
InChIKeyFHPVHAKEDQXQFC-UHFFFAOYSA-N
MW376.45 g/mol
LogP0.40
Rot. Bonds7

About 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide (PubChem CID 122327369) has the molecular formula C15H20N8O2S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
PubChem CID122327369
Molecular FormulaC15H20N8O2S
Molecular Weight376.45 g/mol
Exact Mass376.14
IUPAC Name1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide
SMILESCc1ccn(-c2ccc(NCCNS(=O)(=O)c3cn(C)c(C)n3)nn2)n1
InChIInChI=1S/C15H20N8O2S/c1-11-6-9-23(21-11)14-5-4-13(19-20-14)16-7-8-17-26(24,25)15-10-22(3)12(2)18-15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,19)
InChIKeyFHPVHAKEDQXQFC-UHFFFAOYSA-N
XLogP0.40
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
4-ethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327122
1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359
2,4-diethoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122327407
3-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122327357
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122325574
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449534
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide (CID 122327369) is 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide is Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3cn(C)c(C)n3)nn2)n1.
What is the InChIKey of 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide?
The InChIKey is FHPVHAKEDQXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O2S/c1-11-6-9-23(21-11)14-5-4-13(19-20-14)16-7-8-17-26(24,25)15-10-22(3)12(2)18-15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide has a molecular weight of 376.45 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122327369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).