5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

C11H7ClN4OS — CID 53166273

IUPAC5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2cnnc12)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClN4OS/c12-9-4-3-8(18-9)11(17)14-7-2-1-5-16-6-13-15-10(7)16/h1-6H,(H,14,17)
InChIKeyYWDXGIXVWLYAEP-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide

5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (PubChem CID 53166273) has the molecular formula C11H7ClN4OS and a molecular weight of 278.72 g/mol. Its IUPAC name is 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
PubChem CID53166273
Molecular FormulaC11H7ClN4OS
Molecular Weight278.72 g/mol
Exact Mass278.00
IUPAC Name5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2cnnc12)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClN4OS/c12-9-4-3-8(18-9)11(17)14-7-2-1-5-16-6-13-15-10(7)16/h1-6H,(H,14,17)
InChIKeyYWDXGIXVWLYAEP-UHFFFAOYSA-N
XLogP2.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (CID 53166273) is 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is O=C(Nc1cccn2cnnc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The InChIKey is YWDXGIXVWLYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4OS/c12-9-4-3-8(18-9)11(17)14-7-2-1-5-16-6-13-15-10(7)16/h1-6H,(H,14,17).
What are the key properties of 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53166273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).