N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide

C11H11FN4O — CID 122441062

IUPACN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H11FN4O/c1-8(17)13-11-7-16(15-14-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyURMQIXKNQHHAJW-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.42
Rot. Bonds3

About N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide

N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide (PubChem CID 122441062) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
PubChem CID122441062
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H11FN4O/c1-8(17)13-11-7-16(15-14-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyURMQIXKNQHHAJW-UHFFFAOYSA-N
XLogP1.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide (CID 122441062) is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide is CC(=O)Nc1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The InChIKey is URMQIXKNQHHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-8(17)13-11-7-16(15-14-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3,(H,13,17).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide has a molecular weight of 234.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 122441062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).