1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide

C22H17FN4O — CID 24508971

IUPAC1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O/c1-15-24-21(26-27(15)18-13-11-17(23)12-14-18)22(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28)
InChIKeyWOAOXRPUWPISIR-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.63
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 24508971) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID24508971
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O/c1-15-24-21(26-27(15)18-13-11-17(23)12-14-18)22(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28)
InChIKeyWOAOXRPUWPISIR-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide (CID 24508971) is 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccccc2-c2ccccc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WOAOXRPUWPISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-15-24-21(26-27(15)18-13-11-17(23)12-14-18)22(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24508971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).