N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C13H12N4OS — CID 7708113

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cccs1
InChIInChI=1S/C13H12N4OS/c18-13(10-4-3-9-19-10)14-7-6-12-16-15-11-5-1-2-8-17(11)12/h1-5,8-9H,6-7H2,(H,14,18)
InChIKeyQJIPEVOVKNACJR-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.76
Rot. Bonds4

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 7708113) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID7708113
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cccs1
InChIInChI=1S/C13H12N4OS/c18-13(10-4-3-9-19-10)14-7-6-12-16-15-11-5-1-2-8-17(11)12/h1-5,8-9H,6-7H2,(H,14,18)
InChIKeyQJIPEVOVKNACJR-UHFFFAOYSA-N
XLogP1.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
(5-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone
CID 18677544
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 68777548
ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121465028
US10100058, Example 1
CID 134539527
N-(2-thienylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821815
3-Thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 1243259
3-chloro-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256185
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
N-(imidazo[1,2-a]pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 5310064

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 7708113) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1nnc2ccccn12)c1cccs1.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is QJIPEVOVKNACJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-13(10-4-3-9-19-10)14-7-6-12-16-15-11-5-1-2-8-17(11)12/h1-5,8-9H,6-7H2,(H,14,18).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7708113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).