3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C14H20N8O2S — CID 113043949

IUPAC3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C14H20N8O2S/c1-20(2)25(23,24)19-12-4-5-13(18-17-12)21-8-10-22(11-9-21)14-15-6-3-7-16-14/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyZAFWNIFUVFNKEG-UHFFFAOYSA-N
MW364.44 g/mol
LogP-0.19
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 113043949) has the molecular formula C14H20N8O2S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID113043949
Molecular FormulaC14H20N8O2S
Molecular Weight364.44 g/mol
Exact Mass364.14
IUPAC Name3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C14H20N8O2S/c1-20(2)25(23,24)19-12-4-5-13(18-17-12)21-8-10-22(11-9-21)14-15-6-3-7-16-14/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyZAFWNIFUVFNKEG-UHFFFAOYSA-N
XLogP-0.19
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
CID 113043895
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
CID 113043785
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
CID 113039258
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924
3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 53073252
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
N,N-dipropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124196
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 113043949) is 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is CN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is ZAFWNIFUVFNKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O2S/c1-20(2)25(23,24)19-12-4-5-13(18-17-12)21-8-10-22(11-9-21)14-15-6-3-7-16-14/h3-7H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 364.44 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 113043949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).