7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C17H14N4OS — CID 10860242

IUPAC7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccccc1-c1cc(N)n2nc(-c3cccs3)nc2c1
InChIInChI=1S/C17H14N4OS/c1-22-13-6-3-2-5-12(13)11-9-15(18)21-16(10-11)19-17(20-21)14-7-4-8-23-14/h2-10H,18H2,1H3
InChIKeyWIAPQKIAADQCJW-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.72
Rot. Bonds3

About 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 10860242) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID10860242
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccccc1-c1cc(N)n2nc(-c3cccs3)nc2c1
InChIInChI=1S/C17H14N4OS/c1-22-13-6-3-2-5-12(13)11-9-15(18)21-16(10-11)19-17(20-21)14-7-4-8-23-14/h2-10H,18H2,1H3
InChIKeyWIAPQKIAADQCJW-UHFFFAOYSA-N
XLogP3.72
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 10860242) is 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is COc1ccccc1-c1cc(N)n2nc(-c3cccs3)nc2c1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is WIAPQKIAADQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-22-13-6-3-2-5-12(13)11-9-15(18)21-16(10-11)19-17(20-21)14-7-4-8-23-14/h2-10H,18H2,1H3.
What are the key properties of 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 322.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10860242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).