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

C11H9BrF3N3S — CID 103847065

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2ccc(Br)s2)nn1
InChIInChI=1S/C11H9BrF3N3S/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)
InChIKeyLLDVTUQXMDNRKH-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.97
Rot. Bonds4

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

N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103847065) has the molecular formula C11H9BrF3N3S and a molecular weight of 352.18 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103847065
Molecular FormulaC11H9BrF3N3S
Molecular Weight352.18 g/mol
Exact Mass350.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2ccc(Br)s2)nn1
InChIInChI=1S/C11H9BrF3N3S/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)
InChIKeyLLDVTUQXMDNRKH-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 103847065) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCCc2ccc(Br)s2)nn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is LLDVTUQXMDNRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3S/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-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 352.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103847065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).