N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

C11H9ClF3N3S — CID 103879887

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2ccc(Cl)s2)nn1
InChIInChI=1S/C11H9ClF3N3S/c12-9-3-1-7(19-9)5-6-16-10-4-2-8(17-18-10)11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyGJYHTMXBPKKGIB-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103879887) has the molecular formula C11H9ClF3N3S and a molecular weight of 307.73 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103879887
Molecular FormulaC11H9ClF3N3S
Molecular Weight307.73 g/mol
Exact Mass307.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2ccc(Cl)s2)nn1
InChIInChI=1S/C11H9ClF3N3S/c12-9-3-1-7(19-9)5-6-16-10-4-2-8(17-18-10)11(13,14)15/h1-4H,5-6H2,(H,16,18)
InChIKeyGJYHTMXBPKKGIB-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 103879887) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCCc2ccc(Cl)s2)nn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is GJYHTMXBPKKGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3S/c12-9-3-1-7(19-9)5-6-16-10-4-2-8(17-18-10)11(13,14)15/h1-4H,5-6H2,(H,16,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 307.73 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).