6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine

C11H16ClN3O2S — CID 63271422

IUPAC6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NC2CCS(=O)(=O)CC2)c1C
InChIInChI=1S/C11H16ClN3O2S/c1-7-8(2)11(15-14-10(7)12)13-9-3-5-18(16,17)6-4-9/h9H,3-6H2,1-2H3,(H,13,15)
InChIKeyWSJDEUPDSCNFCK-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.74
Rot. Bonds2

About 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine (PubChem CID 63271422) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine
PubChem CID63271422
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NC2CCS(=O)(=O)CC2)c1C
InChIInChI=1S/C11H16ClN3O2S/c1-7-8(2)11(15-14-10(7)12)13-9-3-5-18(16,17)6-4-9/h9H,3-6H2,1-2H3,(H,13,15)
InChIKeyWSJDEUPDSCNFCK-UHFFFAOYSA-N
XLogP1.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-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

N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine
CID 167956956
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
6-chloro-N-(1,1-dioxothian-4-yl)-2-methylpyrimidin-4-amine
CID 55079915
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80986945
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 156865350
6-chloro-N,4,5-trimethylpyridazin-3-amine
CID 63271800
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine (CID 63271422) is 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(NC2CCS(=O)(=O)CC2)c1C.
What is the InChIKey of 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is WSJDEUPDSCNFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-7-8(2)11(15-14-10(7)12)13-9-3-5-18(16,17)6-4-9/h9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 289.79 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).