N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine

C10H14F3N3S — CID 113344350

IUPACN-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSC(C)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3S/c1-7(17-2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyDKVCAQXGLJIVOM-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.05
Rot. Bonds5

About N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 113344350) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID113344350
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCSC(C)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3S/c1-7(17-2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyDKVCAQXGLJIVOM-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

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Related Compounds

5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875636
N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875638
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103952486
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 167042611
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880029
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 113344350) is N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine is CSC(C)CCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is DKVCAQXGLJIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7(17-2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(3-methylsulfanylbutyl)-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-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 113344350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).