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

C15H19FN4O — CID 107715695

IUPAC1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2nnc3n2CCCC3)cc1F
InChIInChI=1S/C15H19FN4O/c1-10(17)12-6-5-11(8-13(12)16)21-9-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,10H,2-4,7,9,17H2,1H3
InChIKeySTQJGLJXQDBEQG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.35
Rot. Bonds4

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

1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine (PubChem CID 107715695) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
PubChem CID107715695
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2nnc3n2CCCC3)cc1F
InChIInChI=1S/C15H19FN4O/c1-10(17)12-6-5-11(8-13(12)16)21-9-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,10H,2-4,7,9,17H2,1H3
InChIKeySTQJGLJXQDBEQG-UHFFFAOYSA-N
XLogP2.35
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
7-[(4-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169393
8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169401
7-[(2-fluorophenyl)methyl]-8-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169410
8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169442
(5-{[1-(4-isopropoxybenzyl)piperidin-4-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 50953741
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
CID 53612872

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine (CID 107715695) is 1-[2-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 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCc2nnc3n2CCCC3)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is STQJGLJXQDBEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10(17)12-6-5-11(8-13(12)16)21-9-15-19-18-14-4-2-3-7-20(14)15/h5-6,8,10H,2-4,7,9,17H2,1H3.
What are the key properties of 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine?
1-[2-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 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 107715695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).