2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine

C11H13FN4 — CID 117167132

IUPAC2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cnnn1-c1ccccc1F
InChIInChI=1S/C11H13FN4/c1-13-7-6-9-8-14-15-16(9)11-5-3-2-4-10(11)12/h2-5,8,13H,6-7H2,1H3
InChIKeyIOWYYOFLKFKICF-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.17
Rot. Bonds4

About 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine

2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine (PubChem CID 117167132) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
PubChem CID117167132
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cnnn1-c1ccccc1F
InChIInChI=1S/C11H13FN4/c1-13-7-6-9-8-14-15-16(9)11-5-3-2-4-10(11)12/h2-5,8,13H,6-7H2,1H3
InChIKeyIOWYYOFLKFKICF-UHFFFAOYSA-N
XLogP1.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-bromophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167152
2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167260
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
5-chloro-1-(2-fluorophenyl)triazole
CID 115021243
1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107451386
1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
CID 83882394
2-[3-(2-methylphenyl)triazol-4-yl]ethanol
CID 117167047
3-(2-fluorophenyl)triazole-4-carbonitrile
CID 84661292
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 107451888
N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451253
3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
N-[[3-(5-chloro-2-fluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine (CID 117167132) is 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine is CNCCc1cnnn1-c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
The InChIKey is IOWYYOFLKFKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-13-7-6-9-8-14-15-16(9)11-5-3-2-4-10(11)12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine?
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 117167132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).