N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine

C9H12F3N3S — CID 115875636

IUPACN-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSCC(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3S/c1-6(5-16-2)13-8-4-3-7(14-15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyZFDSRTNYXWEMNY-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.66
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 115875636) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID115875636
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSCC(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3S/c1-6(5-16-2)13-8-4-3-7(14-15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyZFDSRTNYXWEMNY-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfanylpropan-2-yl)-6-(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-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 115875636) is N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine is CSCC(C)Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ZFDSRTNYXWEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-6(5-16-2)13-8-4-3-7(14-15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 251.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 115875636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).