N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine

C11H14F3N3O2S — CID 167956956

IUPACN-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine
SMILESCc1cc(C(F)(F)F)c(NC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)10(17-16-7)15-8-2-4-20(18,19)5-3-8/h6,8H,2-5H2,1H3,(H,15,17)
InChIKeyKZMMZFCXXVNTLF-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.79
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine

N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine (PubChem CID 167956956) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine
PubChem CID167956956
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine
SMILESCc1cc(C(F)(F)F)c(NC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)10(17-16-7)15-8-2-4-20(18,19)5-3-8/h6,8H,2-5H2,1H3,(H,15,17)
InChIKeyKZMMZFCXXVNTLF-UHFFFAOYSA-N
XLogP1.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine (CID 167956956) is N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine is Cc1cc(C(F)(F)F)c(NC2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is KZMMZFCXXVNTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-7-6-9(11(12,13)14)10(17-16-7)15-8-2-4-20(18,19)5-3-8/h6,8H,2-5H2,1H3,(H,15,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine?
N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 309.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-methyl-4-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 167956956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).