2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C14H18FN5O — CID 63999342

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)(N)c1cn(CC(=O)NCc2ccc(F)cc2)nn1
InChIInChI=1S/C14H18FN5O/c1-14(2,16)12-8-20(19-18-12)9-13(21)17-7-10-3-5-11(15)6-4-10/h3-6,8H,7,9,16H2,1-2H3,(H,17,21)
InChIKeyLVMHXCHYKZIGPY-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.93
Rot. Bonds5

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 63999342) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID63999342
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(C)(N)c1cn(CC(=O)NCc2ccc(F)cc2)nn1
InChIInChI=1S/C14H18FN5O/c1-14(2,16)12-8-20(19-18-12)9-13(21)17-7-10-3-5-11(15)6-4-10/h3-6,8H,7,9,16H2,1-2H3,(H,17,21)
InChIKeyLVMHXCHYKZIGPY-UHFFFAOYSA-N
XLogP0.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
CID 21268066
2-[4-(1-aminoethyl)triazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 114419663
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63999160
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 116641755
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 63999342) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is CC(C)(N)c1cn(CC(=O)NCc2ccc(F)cc2)nn1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is LVMHXCHYKZIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-14(2,16)12-8-20(19-18-12)9-13(21)17-7-10-3-5-11(15)6-4-10/h3-6,8H,7,9,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 63999342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).