6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C15H14N6O3 — CID 110455589

IUPAC6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCCNc1cn2nc(NC(=O)c3ccncc3)nc2cc1C(=O)O
InChIInChI=1S/C15H14N6O3/c1-2-17-11-8-21-12(7-10(11)14(23)24)18-15(20-21)19-13(22)9-3-5-16-6-4-9/h3-8,17H,2H2,1H3,(H,23,24)(H,19,20,22)
InChIKeyYRGLRFRAQDXDFC-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.51
Rot. Bonds5

About 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 110455589) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID110455589
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCCNc1cn2nc(NC(=O)c3ccncc3)nc2cc1C(=O)O
InChIInChI=1S/C15H14N6O3/c1-2-17-11-8-21-12(7-10(11)14(23)24)18-15(20-21)19-13(22)9-3-5-16-6-4-9/h3-8,17H,2H2,1H3,(H,23,24)(H,19,20,22)
InChIKeyYRGLRFRAQDXDFC-UHFFFAOYSA-N
XLogP1.51
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 110455589) is 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is CCNc1cn2nc(NC(=O)c3ccncc3)nc2cc1C(=O)O.
What is the InChIKey of 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is YRGLRFRAQDXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-2-17-11-8-21-12(7-10(11)14(23)24)18-15(20-21)19-13(22)9-3-5-16-6-4-9/h3-8,17H,2H2,1H3,(H,23,24)(H,19,20,22).
What are the key properties of 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-(pyridine-4-carbonylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 110455589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).