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

C17H14N4O4 — CID 169087898

IUPAC2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(=O)cc(C=Cc2ccccc2)n2[nH]cnc12
InChIInChI=1S/C17H14N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-8,10H,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyIZIRWODACQSOFO-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.01
Rot. Bonds5

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

2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 169087898) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID169087898
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(=O)cc(C=Cc2ccccc2)n2[nH]cnc12
InChIInChI=1S/C17H14N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-8,10H,9H2,(H,18,25)(H,19,20)(H,23,24)
InChIKeyIZIRWODACQSOFO-UHFFFAOYSA-N
XLogP1.01
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[7-oxo-5-(2-phenylethenyl)-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-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid (CID 169087898) is 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(=O)cc(C=Cc2ccccc2)n2[nH]cnc12.
What is the InChIKey of 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is IZIRWODACQSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-8,10H,9H2,(H,18,25)(H,19,20)(H,23,24).
What are the key properties of 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid?
2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid has a molecular weight of 338.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-oxo-5-(2-phenylethenyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 169087898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).