1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid

C14H11N5O3 — CID 23110149

IUPAC1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)nc2-c2ccccn2)cn1
InChIInChI=1S/C14H11N5O3/c1-22-11-6-5-9(8-16-11)19-13(10-4-2-3-7-15-10)17-12(18-19)14(20)21/h2-8H,1H3,(H,20,21)
InChIKeyAATLIVSUUOVFLY-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.43
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid

1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid (PubChem CID 23110149) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
PubChem CID23110149
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)nc2-c2ccccn2)cn1
InChIInChI=1S/C14H11N5O3/c1-22-11-6-5-9(8-16-11)19-13(10-4-2-3-7-15-10)17-12(18-19)14(20)21/h2-8H,1H3,(H,20,21)
InChIKeyAATLIVSUUOVFLY-UHFFFAOYSA-N
XLogP1.43
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
CID 141133524
4-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carbonyl]-1-methylpiperazin-2-one
CID 59728894
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523
(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone
CID 23110234
1-[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]azetidine-2-carboxylic acid
CID 23110136
1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 23090235
1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one
CID 23090169
[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 59003558
tert-butyl 4-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate
CID 11305807
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 173083048

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid (CID 23110149) is 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)nc2-c2ccccn2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid?
The InChIKey is AATLIVSUUOVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-22-11-6-5-9(8-16-11)19-13(10-4-2-3-7-15-10)17-12(18-19)14(20)21/h2-8H,1H3,(H,20,21).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid?
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 23110149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).