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

C13H16FN5O — CID 66194658

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O/c1-2-15-7-10-8-19(18-17-10)9-13(20)16-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3,(H,16,20)
InChIKeyLPMFKIUAFIZMQY-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.17
Rot. Bonds6

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

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 66194658) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID66194658
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCNCc1cn(CC(=O)Nc2ccccc2F)nn1
InChIInChI=1S/C13H16FN5O/c1-2-15-7-10-8-19(18-17-10)9-13(20)16-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3,(H,16,20)
InChIKeyLPMFKIUAFIZMQY-UHFFFAOYSA-N
XLogP1.17
TPSA71.84 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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 62436258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide (CID 66194658) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is CCNCc1cn(CC(=O)Nc2ccccc2F)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LPMFKIUAFIZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-2-15-7-10-8-19(18-17-10)9-13(20)16-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3,(H,16,20).
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 66194658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).