1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid

C15H12N4O3 — CID 56768698

IUPAC1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nnc(C(=O)O)c1-c1cccnc1
InChIInChI=1S/C15H12N4O3/c1-22-12-7-3-2-6-11(12)19-14(10-5-4-8-16-9-10)13(15(20)21)17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyAVAOHMHOHNOTOM-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid

1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid (PubChem CID 56768698) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
PubChem CID56768698
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nnc(C(=O)O)c1-c1cccnc1
InChIInChI=1S/C15H12N4O3/c1-22-12-7-3-2-6-11(12)19-14(10-5-4-8-16-9-10)13(15(20)21)17-18-19/h2-9H,1H3,(H,20,21)
InChIKeyAVAOHMHOHNOTOM-UHFFFAOYSA-N
XLogP2.04
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984
1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199035
1-(3-chloro-2-methylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 94940605
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
1-(cyanomethyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 82206349
5-pyridin-3-yl-1-(2,2,2-trifluoroethyl)triazole-4-carboxylic acid
CID 102642421
3-(2-methoxyphenyl)pyridine
CID 4133297
1-(5-chloro-2,4-dimethoxyphenyl)-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 58731018
1-(2,5-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 82201268

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid (CID 56768698) is 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid is COc1ccccc1-n1nnc(C(=O)O)c1-c1cccnc1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid?
The InChIKey is AVAOHMHOHNOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-12-7-3-2-6-11(12)19-14(10-5-4-8-16-9-10)13(15(20)21)17-18-19/h2-9H,1H3,(H,20,21).
What are the key properties of 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid?
1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid is sourced from PubChem (CID 56768698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).