8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C16H19N5O2S — CID 20620182

IUPAC8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCN(CCOC)C(=O)c1cc(N)c2nc(-c3cccs3)nn2c1
InChIInChI=1S/C16H19N5O2S/c1-3-20(6-7-23-2)16(22)11-9-12(17)15-18-14(19-21(15)10-11)13-5-4-8-24-13/h4-5,8-10H,3,6-7,17H2,1-2H3
InChIKeySPDYXMZQGUXMHY-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.15
Rot. Bonds6

About 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 20620182) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID20620182
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCN(CCOC)C(=O)c1cc(N)c2nc(-c3cccs3)nn2c1
InChIInChI=1S/C16H19N5O2S/c1-3-20(6-7-23-2)16(22)11-9-12(17)15-18-14(19-21(15)10-11)13-5-4-8-24-13/h4-5,8-10H,3,6-7,17H2,1-2H3
InChIKeySPDYXMZQGUXMHY-UHFFFAOYSA-N
XLogP2.15
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 20620182) is 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCN(CCOC)C(=O)c1cc(N)c2nc(-c3cccs3)nn2c1.
What is the InChIKey of 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is SPDYXMZQGUXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-20(6-7-23-2)16(22)11-9-12(17)15-18-14(19-21(15)10-11)13-5-4-8-24-13/h4-5,8-10H,3,6-7,17H2,1-2H3.
What are the key properties of 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-ethyl-N-(2-methoxyethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 20620182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).