1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid

C16H13N3O3 — CID 56768648

IUPAC1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nnc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-22-13-10-6-5-9-12(13)19-15(11-7-3-2-4-8-11)14(16(20)21)17-18-19/h2-10H,1H3,(H,20,21)
InChIKeySBGWFTSOGHPGKD-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid

1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid (PubChem CID 56768648) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
PubChem CID56768648
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nnc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-22-13-10-6-5-9-12(13)19-15(11-7-3-2-4-8-11)14(16(20)21)17-18-19/h2-10H,1H3,(H,20,21)
InChIKeySBGWFTSOGHPGKD-UHFFFAOYSA-N
XLogP2.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984
1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 56768698
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
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
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 94940403
5-(3-fluorophenyl)-1-(2-methylphenyl)triazole-4-carboxylic acid
CID 82201292
5-(2-methoxyphenyl)-1-propan-2-yltriazole-4-carboxylic acid
CID 82206744
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
3-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551
1-(3,5-difluorophenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768653

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid (CID 56768648) is 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid is COc1ccccc1-n1nnc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid?
The InChIKey is SBGWFTSOGHPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-10-6-5-9-12(13)19-15(11-7-3-2-4-8-11)14(16(20)21)17-18-19/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid?
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid is sourced from PubChem (CID 56768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).