1,5-diphenyltriazole-4-carboxylic acid

C15H11N3O2 — CID 7009913

IUPAC1,5-diphenyltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-14(11-7-3-1-4-8-11)18(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
InChIKeyURYUNSOJJJAMLS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.63
Rot. Bonds3

About 1,5-diphenyltriazole-4-carboxylic acid

1,5-diphenyltriazole-4-carboxylic acid (PubChem CID 7009913) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,5-diphenyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1,5-diphenyltriazole-4-carboxylic acid
PubChem CID7009913
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1,5-diphenyltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-14(11-7-3-1-4-8-11)18(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
InChIKeyURYUNSOJJJAMLS-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768653
1-(4-phenoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 53335493
1-phenyltriazole-4,5-dicarboxylic acid
CID 555209
1-(1,3-benzodioxol-5-yl)-5-phenyltriazole-4-carboxylic acid
CID 56768649
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carboxylic acid
CID 685156
1-(2-methoxyphenyl)-5-phenyltriazole-4-carboxylic acid
CID 56768648
1-(2,5-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 82201268
1-(3,5-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940424
1-(3-bromophenyl)-5-(3-chlorophenyl)triazole-4-carboxylic acid
CID 112707644
N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651449
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyltriazole-4-carboxylic acid?
The IUPAC name of 1,5-diphenyltriazole-4-carboxylic acid (CID 7009913) is 1,5-diphenyltriazole-4-carboxylic acid.
What is the SMILES notation for 1,5-diphenyltriazole-4-carboxylic acid?
The canonical SMILES for 1,5-diphenyltriazole-4-carboxylic acid is O=C(O)c1nnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,5-diphenyltriazole-4-carboxylic acid?
The InChIKey is URYUNSOJJJAMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)13-14(11-7-3-1-4-8-11)18(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,19,20).
What are the key properties of 1,5-diphenyltriazole-4-carboxylic acid?
1,5-diphenyltriazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyltriazole-4-carboxylic acid is sourced from PubChem (CID 7009913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).