2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

C14H18N4O4 — CID 50899217

About 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (PubChem CID 50899217) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
• PubChem CID: 50899217
• Molecular Formula: C14H18N4O4
• Molecular Weight: 306.32 g/mol
• Exact Mass: 306.13
• IUPAC Name: 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
• SMILES: CCC(CC)c1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
• InChI: InChI=1S/C14H18N4O4/c1-3-8(4-2)9-5-10(19)12(13-16-7-17-18(9)13)14(22)15-6-11(20)21/h5,7-8H,3-4,6H2,1-2H3,(H,15,22)(H,16,17)(H,20,21)
• InChIKey: MYZOSRTUHGQQCU-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 116.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.32
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?

The IUPAC name of 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (CID 50899217) is 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.

What is the SMILES notation for 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?

The canonical SMILES for 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is CCC(CC)c1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.

What is the InChIKey of 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?

The InChIKey is MYZOSRTUHGQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-8(4-2)9-5-10(19)12(13-16-7-17-18(9)13)14(22)15-6-11(20)21/h5,7-8H,3-4,6H2,1-2H3,(H,15,22)(H,16,17)(H,20,21).

What are the key properties of 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?

2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-oxo-5-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 50899217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).