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

C13H16N4O4 — CID 67049398

IUPAC2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESCC(C)Cc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C13H16N4O4/c1-7(2)3-8-4-9(18)11(12-15-6-16-17(8)12)13(21)14-5-10(19)20/h4,6-7H,3,5H2,1-2H3,(H,14,21)(H,15,16)(H,19,20)
InChIKeyHSLRUOASZYVQDR-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.04
Rot. Bonds5

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

2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 67049398) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID67049398
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESCC(C)Cc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12
InChIInChI=1S/C13H16N4O4/c1-7(2)3-8-4-9(18)11(12-15-6-16-17(8)12)13(21)14-5-10(19)20/h4,6-7H,3,5H2,1-2H3,(H,14,21)(H,15,16)(H,19,20)
InChIKeyHSLRUOASZYVQDR-UHFFFAOYSA-N
XLogP0.04
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (CID 67049398) is 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is CC(C)Cc1cc(=O)c(C(=O)NCC(=O)O)c2nc[nH]n12.
What is the InChIKey of 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is HSLRUOASZYVQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7(2)3-8-4-9(18)11(12-15-6-16-17(8)12)13(21)14-5-10(19)20/h4,6-7H,3,5H2,1-2H3,(H,14,21)(H,15,16)(H,19,20).
What are the key properties of 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
2-[[5-(2-methylpropyl)-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 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylpropyl)-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 67049398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).