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

C14H17FN4O — CID 83966043

IUPAC3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCOc1cccc(-c2nnc3n2CC(F)CC3N)c1
InChIInChI=1S/C14H17FN4O/c1-2-20-11-5-3-4-9(6-11)13-17-18-14-12(16)7-10(15)8-19(13)14/h3-6,10,12H,2,7-8,16H2,1H3
InChIKeyVEXDVIPQGIFWCG-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.09
Rot. Bonds3

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

3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83966043) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83966043
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCOc1cccc(-c2nnc3n2CC(F)CC3N)c1
InChIInChI=1S/C14H17FN4O/c1-2-20-11-5-3-4-9(6-11)13-17-18-14-12(16)7-10(15)8-19(13)14/h3-6,10,12H,2,7-8,16H2,1H3
InChIKeyVEXDVIPQGIFWCG-UHFFFAOYSA-N
XLogP2.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethoxyphenyl)-6-fluoro-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-ethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603836
2-(4-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 83966130
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
3-(3-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 933921
2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 114933599
2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540746
2-(3-ethoxyphenyl)aniline
CID 57482711
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
3-(3-ethoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 3818982
3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966090

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83966043) is 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is CCOc1cccc(-c2nnc3n2CC(F)CC3N)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is VEXDVIPQGIFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-20-11-5-3-4-9(6-11)13-17-18-14-12(16)7-10(15)8-19(13)14/h3-6,10,12H,2,7-8,16H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 276.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83966043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).