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

C13H15FN4O — CID 83966817

IUPAC5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N
InChIInChI=1S/C13H15FN4O/c1-19-11-4-2-8(6-10(11)15)13-16-12-5-3-9(14)7-18(12)17-13/h2,4,6,9H,3,5,7,15H2,1H3
InChIKeyUVKJJZRGGFLTAL-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.82
Rot. Bonds2

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

5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline (PubChem CID 83966817) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline
PubChem CID83966817
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N
InChIInChI=1S/C13H15FN4O/c1-19-11-4-2-8(6-10(11)15)13-16-12-5-3-9(14)7-18(12)17-13/h2,4,6,9H,3,5,7,15H2,1H3
InChIKeyUVKJJZRGGFLTAL-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567876
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
CID 83967027
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-(4-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117127941
2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
CID 3718178
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63743445
2-(2-methoxyphenyl)-6-nitro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567654
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82567708
2-cyclopropyl-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-amine
CID 62220176
2-(4-methoxy-3-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 83966219
2-cyclopropyl-4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483620
2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966772

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline (CID 83966817) is 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline is COc1ccc(-c2nc3n(n2)CC(F)CC3)cc1N.
What is the InChIKey of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline?
The InChIKey is UVKJJZRGGFLTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-11-4-2-8(6-10(11)15)13-16-12-5-3-9(14)7-18(12)17-13/h2,4,6,9H,3,5,7,15H2,1H3.
What are the key properties of 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline?
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline has a molecular weight of 262.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline is sourced from PubChem (CID 83966817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).