N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C9H9N5O3 — CID 112708097

IUPACN-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNC(=O)CNC(=O)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C9H9N5O3/c10-6(15)3-11-8(16)5-1-2-7-12-13-9(17)14(7)4-5/h1-2,4H,3H2,(H2,10,15)(H,11,16)(H,13,17)
InChIKeyMGLSDLYWPPMVOU-UHFFFAOYSA-N
MW235.20 g/mol
LogP-1.76
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 112708097) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID112708097
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNC(=O)CNC(=O)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C9H9N5O3/c10-6(15)3-11-8(16)5-1-2-7-12-13-9(17)14(7)4-5/h1-2,4H,3H2,(H2,10,15)(H,11,16)(H,13,17)
InChIKeyMGLSDLYWPPMVOU-UHFFFAOYSA-N
XLogP-1.76
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 112708097) is N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is NC(=O)CNC(=O)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MGLSDLYWPPMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-6(15)3-11-8(16)5-1-2-7-12-13-9(17)14(7)4-5/h1-2,4H,3H2,(H2,10,15)(H,11,16)(H,13,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 112708097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).