2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

C13H16N4O4 — CID 67049656

IUPAC2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCc1c(CC)n2[nH]cnc2c(C(=O)NCC(=O)O)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-7-8(4-2)17-12(15-6-16-17)10(11(7)20)13(21)14-5-9(18)19/h6H,3-5H2,1-2H3,(H,14,21)(H,15,16)(H,18,19)
InChIKeyPEAUVLYKUNFXEL-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid

2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (PubChem CID 67049656) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
PubChem CID67049656
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid
SMILESCCc1c(CC)n2[nH]cnc2c(C(=O)NCC(=O)O)c1=O
InChIInChI=1S/C13H16N4O4/c1-3-7-8(4-2)17-12(15-6-16-17)10(11(7)20)13(21)14-5-9(18)19/h6H,3-5H2,1-2H3,(H,14,21)(H,15,16)(H,18,19)
InChIKeyPEAUVLYKUNFXEL-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-diethyl-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-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid (CID 67049656) is 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is CCc1c(CC)n2[nH]cnc2c(C(=O)NCC(=O)O)c1=O.
What is the InChIKey of 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
The InChIKey is PEAUVLYKUNFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-7-8(4-2)17-12(15-6-16-17)10(11(7)20)13(21)14-5-9(18)19/h6H,3-5H2,1-2H3,(H,14,21)(H,15,16)(H,18,19).
What are the key properties of 2-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid?
2-[(5,6-diethyl-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-[(5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 67049656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).