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

C12H10N4OS — CID 53166265

IUPAC3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccn2cnnc12
InChIInChI=1S/C12H10N4OS/c1-8-4-6-18-10(8)12(17)14-9-3-2-5-16-7-13-15-11(9)16/h2-7H,1H3,(H,14,17)
InChIKeyAEJCCJUFIDTZTP-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.35
Rot. Bonds2

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

3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (PubChem CID 53166265) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
PubChem CID53166265
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccn2cnnc12
InChIInChI=1S/C12H10N4OS/c1-8-4-6-18-10(8)12(17)14-9-3-2-5-16-7-13-15-11(9)16/h2-7H,1H3,(H,14,17)
InChIKeyAEJCCJUFIDTZTP-UHFFFAOYSA-N
XLogP2.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide (CID 53166265) is 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccn2cnnc12.
What is the InChIKey of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
The InChIKey is AEJCCJUFIDTZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-8-4-6-18-10(8)12(17)14-9-3-2-5-16-7-13-15-11(9)16/h2-7H,1H3,(H,14,17).
What are the key properties of 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide?
3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53166265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).