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

C17H14N4OS — CID 18681609

IUPAC2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nc3cc(-c4ccccc4)cc(N)n3n2)s1
InChIInChI=1S/C17H14N4OS/c1-22-16-8-7-13(23-16)17-19-15-10-12(9-14(18)21(15)20-17)11-5-3-2-4-6-11/h2-10H,18H2,1H3
InChIKeySDGISMPVVSQDFK-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.72
Rot. Bonds3

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

2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18681609) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18681609
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nc3cc(-c4ccccc4)cc(N)n3n2)s1
InChIInChI=1S/C17H14N4OS/c1-22-16-8-7-13(23-16)17-19-15-10-12(9-14(18)21(15)20-17)11-5-3-2-4-6-11/h2-10H,18H2,1H3
InChIKeySDGISMPVVSQDFK-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 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18681609) is 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is COc1ccc(-c2nc3cc(-c4ccccc4)cc(N)n3n2)s1.
What is the InChIKey of 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is SDGISMPVVSQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-22-16-8-7-13(23-16)17-19-15-10-12(9-14(18)21(15)20-17)11-5-3-2-4-6-11/h2-10H,18H2,1H3.
What are the key properties of 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(5-methoxythiophen-2-yl)-7-phenyl-[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 2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18681609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).