5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide

C17H15FN4O — CID 15944151

IUPAC5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C17H15FN4O/c1-2-15-16(17(23)19-13-10-8-12(18)9-11-13)20-21-22(15)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,23)
InChIKeyAHLKFAJZAWTAJV-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.22
Rot. Bonds4

About 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide

5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 15944151) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
PubChem CID15944151
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccccc1
InChIInChI=1S/C17H15FN4O/c1-2-15-16(17(23)19-13-10-8-12(18)9-11-13)20-21-22(15)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,23)
InChIKeyAHLKFAJZAWTAJV-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
5-ethoxy-N,1-diphenyltriazole-4-carboxamide
CID 1499985
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
5-ethyl-N-(4-methylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 43836988
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide (CID 15944151) is 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is AHLKFAJZAWTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-2-15-16(17(23)19-13-10-8-12(18)9-11-13)20-21-22(15)14-6-4-3-5-7-14/h3-11H,2H2,1H3,(H,19,23).
What are the key properties of 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide?
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 15944151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).