2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C14H12N4O2 — CID 82556725

IUPAC2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1
InChIInChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)9-6-11(13(19)20)12-16-14(15)17-18(12)7-9/h2-7H,1H3,(H2,15,17)(H,19,20)
InChIKeyLXJHPYUCOSTZCG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82556725) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82556725
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1
InChIInChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)9-6-11(13(19)20)12-16-14(15)17-18(12)7-9/h2-7H,1H3,(H2,15,17)(H,19,20)
InChIKeyLXJHPYUCOSTZCG-UHFFFAOYSA-N
XLogP1.99
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82556725) is 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1.
What is the InChIKey of 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is LXJHPYUCOSTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)9-6-11(13(19)20)12-16-14(15)17-18(12)7-9/h2-7H,1H3,(H2,15,17)(H,19,20).
What are the key properties of 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82556725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).