1,5-diphenyl-1,2,4-triazole-3-carboxylic acid

C15H11N3O2 — CID 735580

IUPAC1,5-diphenyl-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-16-14(11-7-3-1-4-8-11)18(17-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
InChIKeyRBJKFWPNGGRTOV-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.63
Rot. Bonds3

About 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid

1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (PubChem CID 735580) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1,5-diphenyl-1,2,4-triazole-3-carboxylic acid
PubChem CID735580
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1,5-diphenyl-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-16-14(11-7-3-1-4-8-11)18(17-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
InChIKeyRBJKFWPNGGRTOV-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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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (CID 735580) is 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid is O=C(O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid?
The InChIKey is RBJKFWPNGGRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)13-16-14(11-7-3-1-4-8-11)18(17-13)12-9-5-2-6-10-12/h1-10H,(H,19,20).
What are the key properties of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid?
1,5-diphenyl-1,2,4-triazole-3-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-diphenyl-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 735580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).