7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15FN4O — CID 82557076

IUPAC7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(F)cc1C1CCn2nc(N)nc2C1
InChIInChI=1S/C13H15FN4O/c1-19-11-3-2-9(14)7-10(11)8-4-5-18-12(6-8)16-13(15)17-18/h2-3,7-8H,4-6H2,1H3,(H2,15,17)
InChIKeyAEHCFSRMXOXWBK-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.74
Rot. Bonds2

About 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557076) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557076
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(F)cc1C1CCn2nc(N)nc2C1
InChIInChI=1S/C13H15FN4O/c1-19-11-3-2-9(14)7-10(11)8-4-5-18-12(6-8)16-13(15)17-18/h2-3,7-8H,4-6H2,1H3,(H2,15,17)
InChIKeyAEHCFSRMXOXWBK-UHFFFAOYSA-N
XLogP1.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
CID 53609917
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 53620335
(E)-3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)prop-2-en-1-amine
CID 56780965
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160
3-[(2-Methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148913
5-(2-methoxybenzyl)-1-methyl-3-(3-methylbutyl)-1H-1,2,4-triazole
CID 124210510
2-Bromo-8-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66618676
8-[4-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512192
5-[3-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512196
5-[2-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512201
2-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 144371467
2-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-8-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 144371473

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557076) is 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(F)cc1C1CCn2nc(N)nc2C1.
What is the InChIKey of 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AEHCFSRMXOXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-11-3-2-9(14)7-10(11)8-4-5-18-12(6-8)16-13(15)17-18/h2-3,7-8H,4-6H2,1H3,(H2,15,17).
What are the key properties of 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).