2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid

C11H12N4O3 — CID 119135797

About 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid

2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 119135797) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
• PubChem CID: 119135797
• Molecular Formula: C11H12N4O3
• Molecular Weight: 248.24 g/mol
• Exact Mass: 248.09
• IUPAC Name: 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
• SMILES: Cc1nnc2ccc(C(=O)N(C)CC(=O)O)cn12
• InChI: InChI=1S/C11H12N4O3/c1-7-12-13-9-4-3-8(5-15(7)9)11(18)14(2)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
• InChIKey: PECCLIZKXFIDBM-UHFFFAOYSA-N
• XLogP: 0.19
• TPSA: 87.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.24
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?

The IUPAC name of 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid (CID 119135797) is 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid.

What is the SMILES notation for 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?

The canonical SMILES for 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid is Cc1nnc2ccc(C(=O)N(C)CC(=O)O)cn12.

What is the InChIKey of 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?

The InChIKey is PECCLIZKXFIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-12-13-9-4-3-8(5-15(7)9)11(18)14(2)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17).

What are the key properties of 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid?

2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 119135797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).