N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine

C12H13N5S — CID 116822351

IUPACN-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESCNCCc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C12H13N5S/c1-13-7-6-12-15-14-11-5-4-9(16-17(11)12)10-3-2-8-18-10/h2-5,8,13H,6-7H2,1H3
InChIKeyATPMVRSDVYVTFE-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.61
Rot. Bonds4

About N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine

N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (PubChem CID 116822351) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
PubChem CID116822351
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESCNCCc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C12H13N5S/c1-13-7-6-12-15-14-11-5-4-9(16-17(11)12)10-3-2-8-18-10/h2-5,8,13H,6-7H2,1H3
InChIKeyATPMVRSDVYVTFE-UHFFFAOYSA-N
XLogP1.61
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (CID 116822351) is N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is CNCCc1nnc2ccc(-c3cccs3)nn12.
What is the InChIKey of N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The InChIKey is ATPMVRSDVYVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-13-7-6-12-15-14-11-5-4-9(16-17(11)12)10-3-2-8-18-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine has a molecular weight of 259.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is sourced from PubChem (CID 116822351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).