N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide

C11H11FN4O — CID 47334811

IUPACN-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1cccc(F)c1
InChIInChI=1S/C11H11FN4O/c1-7(8-3-2-4-9(12)5-8)14-11(17)10-6-13-16-15-10/h2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeySANIWZCZMUPBOS-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.43
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide

N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 47334811) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID47334811
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1cccc(F)c1
InChIInChI=1S/C11H11FN4O/c1-7(8-3-2-4-9(12)5-8)14-11(17)10-6-13-16-15-10/h2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeySANIWZCZMUPBOS-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732641
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide (CID 47334811) is N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is SANIWZCZMUPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7(8-3-2-4-9(12)5-8)14-11(17)10-6-13-16-15-10/h2-7H,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47334811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).