N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine

C17H23N5O2S — CID 91968763

IUPACN,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1
InChIInChI=1S/C17H23N5O2S/c1-14-4-6-16(7-5-14)25(23,24)22-10-8-21(9-11-22)17-12-15(20(2)3)13-18-19-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGGDKOMKDCMKBIF-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.36
Rot. Bonds4

About N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine

N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine (PubChem CID 91968763) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
PubChem CID91968763
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1
InChIInChI=1S/C17H23N5O2S/c1-14-4-6-16(7-5-14)25(23,24)22-10-8-21(9-11-22)17-12-15(20(2)3)13-18-19-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGGDKOMKDCMKBIF-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510
6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 91968767
6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342832
6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342817
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122342848
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969055
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine (CID 91968763) is N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine is Cc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine?
The InChIKey is GGDKOMKDCMKBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-14-4-6-16(7-5-14)25(23,24)22-10-8-21(9-11-22)17-12-15(20(2)3)13-18-19-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine?
N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine is sourced from PubChem (CID 91968763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).