N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H12N6O2S — CID 139013001

About N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 139013001) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
• PubChem CID: 139013001
• Molecular Formula: C15H12N6O2S
• Molecular Weight: 340.37 g/mol
• Exact Mass: 340.07
• IUPAC Name: N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
• SMILES: Cc1ccn2c(NC(=O)Cn3cnc4sccc4c3=O)nnc2c1
• InChI: InChI=1S/C15H12N6O2S/c1-9-2-4-21-11(6-9)18-19-15(21)17-12(22)7-20-8-16-13-10(14(20)23)3-5-24-13/h2-6,8H,7H2,1H3,(H,17,19,22)
• InChIKey: LYVRCGNMWWKFDZ-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.37
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 139013001) is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1ccn2c(NC(=O)Cn3cnc4sccc4c3=O)nnc2c1.

What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The InChIKey is LYVRCGNMWWKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-9-2-4-21-11(6-9)18-19-15(21)17-12(22)7-20-8-16-13-10(14(20)23)3-5-24-13/h2-6,8H,7H2,1H3,(H,17,19,22).

What are the key properties of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 139013001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).