2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine

C15H19FN4O — CID 107692772

IUPAC2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCc2nnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H19FN4O/c16-12-9-11(6-7-17)4-5-13(12)21-10-15-19-18-14-3-1-2-8-20(14)15/h4-5,9H,1-3,6-8,10,17H2
InChIKeyPFUBHKDFZAVFJR-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine

2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine (PubChem CID 107692772) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
PubChem CID107692772
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCc2nnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H19FN4O/c16-12-9-11(6-7-17)4-5-13(12)21-10-15-19-18-14-3-1-2-8-20(14)15/h4-5,9H,1-3,6-8,10,17H2
InChIKeyPFUBHKDFZAVFJR-UHFFFAOYSA-N
XLogP1.83
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine with MolForge

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Related Compounds

(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369084
(Z)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369087
(E)-3-fluoro-2-[[4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512150
(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369085
4-(4-Ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
CID 53192497
3-methyl-7-[2-(2-methylphenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53578442
7-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53579712
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine
CID 53608720
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine
CID 53612987
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(3-fluorophenoxy)ethyl]piperidine
CID 53620670

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine (CID 107692772) is 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine is NCCc1ccc(OCc2nnc3n2CCCC3)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is PFUBHKDFZAVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-12-9-11(6-7-17)4-5-13(12)21-10-15-19-18-14-3-1-2-8-20(14)15/h4-5,9H,1-3,6-8,10,17H2.
What are the key properties of 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 290.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 107692772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).