6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H15FN4O — CID 83966033

IUPAC6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1ccc(-c2nnc3n2CC(F)CC3N)cc1
InChIInChI=1S/C13H15FN4O/c1-19-10-4-2-8(3-5-10)12-16-17-13-11(15)6-9(14)7-18(12)13/h2-5,9,11H,6-7,15H2,1H3
InChIKeyBUBJFBHHOCTCRQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.70
Rot. Bonds2

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

6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83966033) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83966033
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOc1ccc(-c2nnc3n2CC(F)CC3N)cc1
InChIInChI=1S/C13H15FN4O/c1-19-10-4-2-8(3-5-10)12-16-17-13-11(15)6-9(14)7-18(12)13/h2-5,9,11H,6-7,15H2,1H3
InChIKeyBUBJFBHHOCTCRQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966034
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117153166
3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965917
2-(4-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 83966130
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965923
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151802
5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754869
3-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117158739
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841813
3-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
CID 139224320
6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83966033) is 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is COc1ccc(-c2nnc3n2CC(F)CC3N)cc1.
What is the InChIKey of 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is BUBJFBHHOCTCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-10-4-2-8(3-5-10)12-16-17-13-11(15)6-9(14)7-18(12)13/h2-5,9,11H,6-7,15H2,1H3.
What are the key properties of 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 262.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83966033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).