(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone

C15H15N5OS — CID 18677544

IUPAC(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H15N5OS/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2
InChIKeyPESDGYXYPRKHOS-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.28
Rot. Bonds2

About (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone

(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone (PubChem CID 18677544) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone
PubChem CID18677544
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H15N5OS/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2
InChIKeyPESDGYXYPRKHOS-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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone (CID 18677544) is (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)cc2nc(-c3cccs3)nn12.
What is the InChIKey of (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is PESDGYXYPRKHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2.
What are the key properties of (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone?
(5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-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 (5-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 18677544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).