(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

C15H15N5OS — CID 20620157

IUPAC(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cn2nc(-c3cccs3)nc12
InChIInChI=1S/C15H15N5OS/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2
InChIKeyGQKCFPTZFMHPET-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.28
Rot. Bonds2

About (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20620157) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID20620157
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cn2nc(-c3cccs3)nc12
InChIInChI=1S/C15H15N5OS/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2
InChIKeyGQKCFPTZFMHPET-UHFFFAOYSA-N
XLogP2.28
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone 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 (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (CID 20620157) is (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)cn2nc(-c3cccs3)nc12.
What is the InChIKey of (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GQKCFPTZFMHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2.
What are the key properties of (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 313.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20620157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).