5-ethyl-N,1-diphenyltriazole-4-carboxamide

C17H16N4O — CID 15944220

IUPAC5-ethyl-N,1-diphenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-2-15-16(17(22)18-13-9-5-3-6-10-13)19-20-21(15)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22)
InChIKeyLCFOYNDTJORVKV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.08
Rot. Bonds4

About 5-ethyl-N,1-diphenyltriazole-4-carboxamide

5-ethyl-N,1-diphenyltriazole-4-carboxamide (PubChem CID 15944220) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-ethyl-N,1-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,1-diphenyltriazole-4-carboxamide
PubChem CID15944220
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-ethyl-N,1-diphenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-2-15-16(17(22)18-13-9-5-3-6-10-13)19-20-21(15)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22)
InChIKeyLCFOYNDTJORVKV-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
5-ethoxy-N,1-diphenyltriazole-4-carboxamide
CID 1499985
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
5-ethyl-N-(4-methylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 43836988
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,1-diphenyltriazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,1-diphenyltriazole-4-carboxamide (CID 15944220) is 5-ethyl-N,1-diphenyltriazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,1-diphenyltriazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,1-diphenyltriazole-4-carboxamide is CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N,1-diphenyltriazole-4-carboxamide?
The InChIKey is LCFOYNDTJORVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-15-16(17(22)18-13-9-5-3-6-10-13)19-20-21(15)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,22).
What are the key properties of 5-ethyl-N,1-diphenyltriazole-4-carboxamide?
5-ethyl-N,1-diphenyltriazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,1-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 15944220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).