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

C16H13N5S — CID 18313657

IUPAC2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccc(-c2nc3cc(-c4ccncc4)cc(N)n3n2)s1
InChIInChI=1S/C16H13N5S/c1-10-2-3-13(22-10)16-19-15-9-12(8-14(17)21(15)20-16)11-4-6-18-7-5-11/h2-9H,17H2,1H3
InChIKeyREVTZYSVFSZKLJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.41
Rot. Bonds2

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

2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313657) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313657
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1ccc(-c2nc3cc(-c4ccncc4)cc(N)n3n2)s1
InChIInChI=1S/C16H13N5S/c1-10-2-3-13(22-10)16-19-15-9-12(8-14(17)21(15)20-16)11-4-6-18-7-5-11/h2-9H,17H2,1H3
InChIKeyREVTZYSVFSZKLJ-UHFFFAOYSA-N
XLogP3.41
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313657) is 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1ccc(-c2nc3cc(-c4ccncc4)cc(N)n3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is REVTZYSVFSZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-10-2-3-13(22-10)16-19-15-9-12(8-14(17)21(15)20-16)11-4-6-18-7-5-11/h2-9H,17H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 307.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).