2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

C12H12N4OS — CID 62849106

IUPAC2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESNCC(Sc1nnc2ccccn12)c1ccco1
InChIInChI=1S/C12H12N4OS/c13-8-10(9-4-3-7-17-9)18-12-15-14-11-5-1-2-6-16(11)12/h1-7,10H,8,13H2
InChIKeyAXEUYPHDVLGQIF-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (PubChem CID 62849106) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
PubChem CID62849106
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESNCC(Sc1nnc2ccccn12)c1ccco1
InChIInChI=1S/C12H12N4OS/c13-8-10(9-4-3-7-17-9)18-12-15-14-11-5-1-2-6-16(11)12/h1-7,10H,8,13H2
InChIKeyAXEUYPHDVLGQIF-UHFFFAOYSA-N
XLogP2.11
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (CID 62849106) is 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is NCC(Sc1nnc2ccccn12)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The InChIKey is AXEUYPHDVLGQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-8-10(9-4-3-7-17-9)18-12-15-14-11-5-1-2-6-16(11)12/h1-7,10H,8,13H2.
What are the key properties of 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine has a molecular weight of 260.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 62849106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).