3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C16H15N3O2 — CID 83966090

IUPAC3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCCOc1cccc(-c2nnc3cc(C)c(C=O)cn23)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-14-6-4-5-12(8-14)16-18-17-15-7-11(2)13(10-20)9-19(15)16/h4-10H,3H2,1-2H3
InChIKeyXDYDRFYUPUQMIG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.92
Rot. Bonds4

About 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 83966090) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID83966090
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCCOc1cccc(-c2nnc3cc(C)c(C=O)cn23)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-14-6-4-5-12(8-14)16-18-17-15-7-11(2)13(10-20)9-19(15)16/h4-10H,3H2,1-2H3
InChIKeyXDYDRFYUPUQMIG-UHFFFAOYSA-N
XLogP2.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
4-(3-ethoxyphenyl)-3-methylbenzaldehyde
CID 81448039
6-bromo-2-(3-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 79736825
7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965839
3-(3-ethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603836
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138657
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 83966090) is 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is CCOc1cccc(-c2nnc3cc(C)c(C=O)cn23)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is XDYDRFYUPUQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-14-6-4-5-12(8-14)16-18-17-15-7-11(2)13(10-20)9-19(15)16/h4-10H,3H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 281.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83966090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).