2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol

C13H15FN4O — CID 136702660

IUPAC2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
SMILESNCC1CCn2c(nnc2-c2cc(F)ccc2O)C1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-11(19)10(6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyLSSNWFGRXUJZEJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.31
Rot. Bonds2

About 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol

2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol (PubChem CID 136702660) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
PubChem CID136702660
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
SMILESNCC1CCn2c(nnc2-c2cc(F)ccc2O)C1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-11(19)10(6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyLSSNWFGRXUJZEJ-UHFFFAOYSA-N
XLogP1.31
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol with MolForge

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Related Compounds

[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392362
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871112
[3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392393
5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol
CID 105392360
[3-(3-ethyl-1-methylpyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392334
[3-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392285
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
3-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532654
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392348
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
CID 137011267
[3-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392157
3-(4-fluoro-2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136790088

Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The IUPAC name of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol (CID 136702660) is 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The canonical SMILES for 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol is NCC1CCn2c(nnc2-c2cc(F)ccc2O)C1.
What is the InChIKey of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The InChIKey is LSSNWFGRXUJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-1-2-11(19)10(6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2.
What are the key properties of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol has a molecular weight of 262.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol is sourced from PubChem (CID 136702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).