2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid

C11H12N4O4 — CID 43132370

About 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid

2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid (PubChem CID 43132370) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
• PubChem CID: 43132370
• Molecular Formula: C11H12N4O4
• Molecular Weight: 264.24 g/mol
• Exact Mass: 264.09
• IUPAC Name: 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
• SMILES: CN(CC(=O)O)C(=O)Cn1nc2ccccn2c1=O
• InChI: InChI=1S/C11H12N4O4/c1-13(7-10(17)18)9(16)6-15-11(19)14-5-3-2-4-8(14)12-15/h2-5H,6-7H2,1H3,(H,17,18)
• InChIKey: KMMNUWHGQOBLFA-UHFFFAOYSA-N
• XLogP: -0.96
• TPSA: 96.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.24
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid?

The IUPAC name of 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid (CID 43132370) is 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid.

What is the SMILES notation for 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid?

The canonical SMILES for 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cn1nc2ccccn2c1=O.

What is the InChIKey of 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid?

The InChIKey is KMMNUWHGQOBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-13(7-10(17)18)9(16)6-15-11(19)14-5-3-2-4-8(14)12-15/h2-5H,6-7H2,1H3,(H,17,18).

What are the key properties of 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid?

2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid has a molecular weight of 264.24 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).