2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C12H9N3OS — CID 115003848

IUPAC2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3cccs3)nc12
InChIInChI=1S/C12H9N3OS/c16-8-9-3-1-5-15-12(9)13-11(14-15)7-10-4-2-6-17-10/h1-6,8H,7H2
InChIKeyUJDJDEZOXZKOMG-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 115003848) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID115003848
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3cccs3)nc12
InChIInChI=1S/C12H9N3OS/c16-8-9-3-1-5-15-12(9)13-11(14-15)7-10-4-2-6-17-10/h1-6,8H,7H2
InChIKeyUJDJDEZOXZKOMG-UHFFFAOYSA-N
XLogP2.19
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.19
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

2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137210
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 115003847
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 5303940
2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136050
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 83829233
4-(thiophen-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
CID 5306537
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137585
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
CID 18973351
2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
CID 83880900
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 115003848) is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(Cc3cccs3)nc12.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is UJDJDEZOXZKOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-8-9-3-1-5-15-12(9)13-11(14-15)7-10-4-2-6-17-10/h1-6,8H,7H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 115003848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).