N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine

C10H14F3N3S — CID 115875638

IUPACN-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSCCC(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3S/c1-7(5-6-17-2)14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyBJNLCQGRPVYJHE-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.05
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 115875638) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID115875638
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSCCC(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3S/c1-7(5-6-17-2)14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyBJNLCQGRPVYJHE-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylsulfanylbutan-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-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 115875638) is N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine is CSCCC(C)Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is BJNLCQGRPVYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7(5-6-17-2)14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 265.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 115875638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).