2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C11H15N5O2 — CID 82555597

IUPAC2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)O)n2nc(N)nc12
InChIInChI=1S/C11H15N5O2/c1-3-15(4-2)7-5-6-8(10(17)18)16-9(7)13-11(12)14-16/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,17,18)
InChIKeyRCPUGVQQIOGDGC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555597) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555597
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)O)n2nc(N)nc12
InChIInChI=1S/C11H15N5O2/c1-3-15(4-2)7-5-6-8(10(17)18)16-9(7)13-11(12)14-16/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,17,18)
InChIKeyRCPUGVQQIOGDGC-UHFFFAOYSA-N
XLogP0.86
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555597) is 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CCN(CC)c1ccc(C(=O)O)n2nc(N)nc12.
What is the InChIKey of 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is RCPUGVQQIOGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-15(4-2)7-5-6-8(10(17)18)16-9(7)13-11(12)14-16/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,17,18).
What are the key properties of 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).