N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide

C11H11FN4O — CID 78969627

IUPACN-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-2-16(9-5-3-8(12)4-6-9)11(17)10-7-13-15-14-10/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyOOLGCPJELCLHEA-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.61
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide

N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide (PubChem CID 78969627) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
PubChem CID78969627
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-2-16(9-5-3-8(12)4-6-9)11(17)10-7-13-15-14-10/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyOOLGCPJELCLHEA-UHFFFAOYSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
CID 142981512
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 60667423
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 60659860
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide (CID 78969627) is N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide is CCN(C(=O)c1cn[nH]n1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is OOLGCPJELCLHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-2-16(9-5-3-8(12)4-6-9)11(17)10-7-13-15-14-10/h3-7H,2H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide?
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).