2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C15H13N3O3 — CID 82566873

IUPAC2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cc2nc3ccc(C(=O)O)cn3n2)cc1
InChIInChI=1S/C15H13N3O3/c1-21-12-5-2-10(3-6-12)8-13-16-14-7-4-11(15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyCZPZRKDHDQXPJL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 82566873) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID82566873
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cc2nc3ccc(C(=O)O)cn3n2)cc1
InChIInChI=1S/C15H13N3O3/c1-21-12-5-2-10(3-6-12)8-13-16-14-7-4-11(15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyCZPZRKDHDQXPJL-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 82566873) is 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is COc1ccc(Cc2nc3ccc(C(=O)O)cn3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CZPZRKDHDQXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-12-5-2-10(3-6-12)8-13-16-14-7-4-11(15(19)20)9-18(14)17-13/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82566873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).