3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C15H16N4O — CID 83965947

IUPAC3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCOc1cccc(-c2nnc3c(N)cc(C)cn23)c1
InChIInChI=1S/C15H16N4O/c1-3-20-12-6-4-5-11(8-12)14-17-18-15-13(16)7-10(2)9-19(14)15/h4-9H,3,16H2,1-2H3
InChIKeyWLEYCUNZNSZERN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds3

About 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83965947) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83965947
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCOc1cccc(-c2nnc3c(N)cc(C)cn23)c1
InChIInChI=1S/C15H16N4O/c1-3-20-12-6-4-5-11(8-12)14-17-18-15-13(16)7-10(2)9-19(14)15/h4-9H,3,16H2,1-2H3
InChIKeyWLEYCUNZNSZERN-UHFFFAOYSA-N
XLogP2.69
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
2-(3-ethoxyphenyl)aniline
CID 57482711
3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966090
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167
3-(3-ethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603836
3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966043
3-(3-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 933921
3-(3-ethoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 3818982
[2-(3-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 144974815
2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
CID 82484613
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83965947) is 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is CCOc1cccc(-c2nnc3c(N)cc(C)cn23)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is WLEYCUNZNSZERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-20-12-6-4-5-11(8-12)14-17-18-15-13(16)7-10(2)9-19(14)15/h4-9H,3,16H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 268.32 g/mol, XLogP of 2.69, 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-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83965947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).