5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid

C17H15N3O3 — CID 94940466

IUPAC5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)nnn1-c1cccc(C)c1
InChIInChI=1S/C17H15N3O3/c1-11-6-5-7-12(10-11)20-16(15(17(21)22)18-19-20)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,21,22)
InChIKeyKVNLUUJPMMRNKG-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds4

About 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid

5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid (PubChem CID 94940466) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid
PubChem CID94940466
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid
SMILESCOc1ccccc1-c1c(C(=O)O)nnn1-c1cccc(C)c1
InChIInChI=1S/C17H15N3O3/c1-11-6-5-7-12(10-11)20-16(15(17(21)22)18-19-20)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,21,22)
InChIKeyKVNLUUJPMMRNKG-UHFFFAOYSA-N
XLogP2.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 94940465
1-(3-methylphenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 50945152
5-(2-methoxyphenyl)-1-propan-2-yltriazole-4-carboxylic acid
CID 82206744
5-chloro-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 84700386
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
1-(3,5-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940424
1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642652
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carboxylic acid
CID 82201376
1-(3-fluoro-4-methoxyphenyl)-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 56768881
5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
CID 60520886
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid (CID 94940466) is 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid is COc1ccccc1-c1c(C(=O)O)nnn1-c1cccc(C)c1.
What is the InChIKey of 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid?
The InChIKey is KVNLUUJPMMRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-6-5-7-12(10-11)20-16(15(17(21)22)18-19-20)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,21,22).
What are the key properties of 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid?
5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 94940466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).