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

C15H16N4O2S — CID 51093075

IUPAC3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H16N4O2S/c1-2-11-6-10-22-13(11)14(20)16-7-9-19-15(21)18-8-4-3-5-12(18)17-19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20)
InChIKeySFQSOUOBLJMZMV-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.55
Rot. Bonds5

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

3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 51093075) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID51093075
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H16N4O2S/c1-2-11-6-10-22-13(11)14(20)16-7-9-19-15(21)18-8-4-3-5-12(18)17-19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20)
InChIKeySFQSOUOBLJMZMV-UHFFFAOYSA-N
XLogP1.55
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide (CID 51093075) is 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NCCn1nc2ccccn2c1=O.
What is the InChIKey of 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SFQSOUOBLJMZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-11-6-10-22-13(11)14(20)16-7-9-19-15(21)18-8-4-3-5-12(18)17-19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20).
What are the key properties of 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51093075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).