2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine

C8H8ClN3S — CID 166128008

IUPAC2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine
SMILESNCCc1cc2cc(Cl)nnc2s1
InChIInChI=1S/C8H8ClN3S/c9-7-4-5-3-6(1-2-10)13-8(5)12-11-7/h3-4H,1-2,10H2
InChIKeyNXZWFMAZABDWLE-UHFFFAOYSA-N
MW213.69 g/mol
LogP1.85
Rot. Bonds2

About 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine

2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine (PubChem CID 166128008) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine
PubChem CID166128008
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine
SMILESNCCc1cc2cc(Cl)nnc2s1
InChIInChI=1S/C8H8ClN3S/c9-7-4-5-3-6(1-2-10)13-8(5)12-11-7/h3-4H,1-2,10H2
InChIKeyNXZWFMAZABDWLE-UHFFFAOYSA-N
XLogP1.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine?
The IUPAC name of 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine (CID 166128008) is 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine?
The canonical SMILES for 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine is NCCc1cc2cc(Cl)nnc2s1.
What is the InChIKey of 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine?
The InChIKey is NXZWFMAZABDWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-7-4-5-3-6(1-2-10)13-8(5)12-11-7/h3-4H,1-2,10H2.
What are the key properties of 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine?
2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine has a molecular weight of 213.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothieno[2,3-c]pyridazin-6-yl)ethanamine is sourced from PubChem (CID 166128008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).