3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H15N5S — CID 39343340

IUPAC3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCCc3cccs3)nn12
InChIInChI=1S/C13H15N5S/c1-2-12-15-16-13-6-5-11(17-18(12)13)14-8-7-10-4-3-9-19-10/h3-6,9H,2,7-8H2,1H3,(H,14,17)
InChIKeyJSTWQPGCXNQTSP-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.40
Rot. Bonds5

About 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 39343340) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID39343340
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCCc3cccs3)nn12
InChIInChI=1S/C13H15N5S/c1-2-12-15-16-13-6-5-11(17-18(12)13)14-8-7-10-4-3-9-19-10/h3-6,9H,2,7-8H2,1H3,(H,14,17)
InChIKeyJSTWQPGCXNQTSP-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 39343340) is 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NCCc3cccs3)nn12.
What is the InChIKey of 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is JSTWQPGCXNQTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-2-12-15-16-13-6-5-11(17-18(12)13)14-8-7-10-4-3-9-19-10/h3-6,9H,2,7-8H2,1H3,(H,14,17).
What are the key properties of 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 273.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 39343340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).