1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C15H14BrFN4 — CID 43770425

IUPAC1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN4/c1-10(11-5-6-13(17)12(16)8-11)18-9-15-20-19-14-4-2-3-7-21(14)15/h2-8,10,18H,9H2,1H3
InChIKeyFVHDBTZDWTXZHU-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 43770425) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID43770425
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN4/c1-10(11-5-6-13(17)12(16)8-11)18-9-15-20-19-14-4-2-3-7-21(14)15/h2-8,10,18H,9H2,1H3
InChIKeyFVHDBTZDWTXZHU-UHFFFAOYSA-N
XLogP3.48
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 43770425) is 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is CC(NCc1nnc2ccccn12)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is FVHDBTZDWTXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4/c1-10(11-5-6-13(17)12(16)8-11)18-9-15-20-19-14-4-2-3-7-21(14)15/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 349.21 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 43770425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).