2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid

C14H14N4O3 — CID 61024854

About 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 61024854) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
• PubChem CID: 61024854
• Molecular Formula: C14H14N4O3
• Molecular Weight: 286.29 g/mol
• Exact Mass: 286.11
• IUPAC Name: 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
• SMILES: Cc1cc(NCc2cc(C(=O)O)c(C)o2)n2ncnc2c1
• InChI: InChI=1S/C14H14N4O3/c1-8-3-12(18-13(4-8)16-7-17-18)15-6-10-5-11(14(19)20)9(2)21-10/h3-5,7,15H,6H2,1-2H3,(H,19,20)
• InChIKey: SNEQDAGEMUZMAU-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 92.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.29
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid?

The IUPAC name of 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid (CID 61024854) is 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid?

The canonical SMILES for 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid is Cc1cc(NCc2cc(C(=O)O)c(C)o2)n2ncnc2c1.

What is the InChIKey of 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid?

The InChIKey is SNEQDAGEMUZMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-3-12(18-13(4-8)16-7-17-18)15-6-10-5-11(14(19)20)9(2)21-10/h3-5,7,15H,6H2,1-2H3,(H,19,20).

What are the key properties of 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid?

2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61024854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).