[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine

C11H13FN4 — CID 82472571

IUPAC[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1CCc1ccccc1F
InChIInChI=1S/C11H13FN4/c12-10-4-2-1-3-9(10)5-6-16-8-14-15-11(16)7-13/h1-4,8H,5-7,13H2
InChIKeyMJSDBGGNLYAOFJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.12
Rot. Bonds4

About [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine

[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 82472571) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID82472571
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1CCc1ccccc1F
InChIInChI=1S/C11H13FN4/c12-10-4-2-1-3-9(10)5-6-16-8-14-15-11(16)7-13/h1-4,8H,5-7,13H2
InChIKeyMJSDBGGNLYAOFJ-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 82468055
[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468720
[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine
CID 68710194
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
[3-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanamine
CID 94285862
3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
CID 82079512
2-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 95461564
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole
CID 84611166
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 82472571) is [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine is NCc1nncn1CCc1ccccc1F.
What is the InChIKey of [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MJSDBGGNLYAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-10-4-2-1-3-9(10)5-6-16-8-14-15-11(16)7-13/h1-4,8H,5-7,13H2.
What are the key properties of [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine?
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82472571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).