2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C9H10N4O3 — CID 118632770

IUPAC2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESNCCOC(=O)c1cccn2c(=O)[nH]nc12
InChIInChI=1S/C9H10N4O3/c10-3-5-16-8(14)6-2-1-4-13-7(6)11-12-9(13)15/h1-2,4H,3,5,10H2,(H,12,15)
InChIKeyWJNGQORHADSFDD-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.86
Rot. Bonds3

About 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 118632770) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID118632770
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESNCCOC(=O)c1cccn2c(=O)[nH]nc12
InChIInChI=1S/C9H10N4O3/c10-3-5-16-8(14)6-2-1-4-13-7(6)11-12-9(13)15/h1-2,4H,3,5,10H2,(H,12,15)
InChIKeyWJNGQORHADSFDD-UHFFFAOYSA-N
XLogP-0.86
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 118632770) is 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is NCCOC(=O)c1cccn2c(=O)[nH]nc12.
What is the InChIKey of 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is WJNGQORHADSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-3-5-16-8(14)6-2-1-4-13-7(6)11-12-9(13)15/h1-2,4H,3,5,10H2,(H,12,15).
What are the key properties of 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 222.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 118632770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).