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

C13H16N4O4 — CID 58209014

IUPAC2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C13H16N4O4/c1-2-3-4-8-5-9(18)11(12-15-7-16-17(8)12)13(21)14-6-10(19)20/h5,7H,2-4,6H2,1H3,(H,14,21)(H,15,16)(H,19,20)
InChIKeyUZCGMODXKFJMDP-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.18
Rot. Bonds6

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

2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (PubChem CID 58209014) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
PubChem CID58209014
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C13H16N4O4/c1-2-3-4-8-5-9(18)11(12-15-7-16-17(8)12)13(21)14-6-10(19)20/h5,7H,2-4,6H2,1H3,(H,14,21)(H,15,16)(H,19,20)
InChIKeyUZCGMODXKFJMDP-UHFFFAOYSA-N
XLogP0.18
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (CID 58209014) is 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is CCCCc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.
What is the InChIKey of 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The InChIKey is UZCGMODXKFJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-2-3-4-8-5-9(18)11(12-15-7-16-17(8)12)13(21)14-6-10(19)20/h5,7H,2-4,6H2,1H3,(H,14,21)(H,15,16)(H,19,20).
What are the key properties of 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid has a molecular weight of 292.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 58209014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).