N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

C13H16N4OS — CID 47228564

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnc2n1CCCC2
InChIInChI=1S/C13H16N4OS/c18-13(8-10-4-3-7-19-10)14-9-12-16-15-11-5-1-2-6-17(11)12/h3-4,7H,1-2,5-6,8-9H2,(H,14,18)
InChIKeyZZUUDPZVWXQPPL-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.53
Rot. Bonds4

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 47228564) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID47228564
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnc2n1CCCC2
InChIInChI=1S/C13H16N4OS/c18-13(8-10-4-3-7-19-10)14-9-12-16-15-11-5-1-2-6-17(11)12/h3-4,7H,1-2,5-6,8-9H2,(H,14,18)
InChIKeyZZUUDPZVWXQPPL-UHFFFAOYSA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide 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 N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (CID 47228564) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nnc2n1CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZZUUDPZVWXQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c18-13(8-10-4-3-7-19-10)14-9-12-16-15-11-5-1-2-6-17(11)12/h3-4,7H,1-2,5-6,8-9H2,(H,14,18).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 276.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47228564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).