2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide

C13H16FN5O — CID 106221500

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESNCCCc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O/c14-11-5-1-2-6-12(11)16-13(20)9-19-8-10(17-18-19)4-3-7-15/h1-2,5-6,8H,3-4,7,9,15H2,(H,16,20)
InChIKeyYREOALUBGUTHIC-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.95
Rot. Bonds6

About 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 106221500) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID106221500
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESNCCCc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O/c14-11-5-1-2-6-12(11)16-13(20)9-19-8-10(17-18-19)4-3-7-15/h1-2,5-6,8H,3-4,7,9,15H2,(H,16,20)
InChIKeyYREOALUBGUTHIC-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 106220964
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
CID 106221027
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
2-[4-(3-aminopropyl)triazol-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 106220930
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106221662
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (CID 106221500) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is NCCCc1cn(CC(=O)Nc2ccccc2F)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is YREOALUBGUTHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c14-11-5-1-2-6-12(11)16-13(20)9-19-8-10(17-18-19)4-3-7-15/h1-2,5-6,8H,3-4,7,9,15H2,(H,16,20).
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 106221500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).