[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine

C11H13FN4O — CID 55029659

IUPAC[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C11H13FN4O/c12-9-1-3-11(4-2-9)17-6-5-16-8-10(7-13)14-15-16/h1-4,8H,5-7,13H2
InChIKeyRFYNFAUDAWZSLD-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.95
Rot. Bonds5

About [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine

[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 55029659) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine
PubChem CID55029659
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C11H13FN4O/c12-9-1-3-11(4-2-9)17-6-5-16-8-10(7-13)14-15-16/h1-4,8H,5-7,13H2
InChIKeyRFYNFAUDAWZSLD-UHFFFAOYSA-N
XLogP0.95
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine (CID 55029659) is [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine is NCc1cn(CCOc2ccc(F)cc2)nn1.
What is the InChIKey of [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is RFYNFAUDAWZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c12-9-1-3-11(4-2-9)17-6-5-16-8-10(7-13)14-15-16/h1-4,8H,5-7,13H2.
What are the key properties of [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 236.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55029659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).