3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

C13H16N4O — CID 117141091

IUPAC3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(CC3CCCNC3)n12
InChIInChI=1S/C13H16N4O/c18-9-11-4-1-5-12-15-16-13(17(11)12)7-10-3-2-6-14-8-10/h1,4-5,9-10,14H,2-3,6-8H2
InChIKeyTVVWTCMCDBPEDO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.08
Rot. Bonds3

About 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (PubChem CID 117141091) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
PubChem CID117141091
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(CC3CCCNC3)n12
InChIInChI=1S/C13H16N4O/c18-9-11-4-1-5-12-15-16-13(17(11)12)7-10-3-2-6-14-8-10/h1,4-5,9-10,14H,2-3,6-8H2
InChIKeyTVVWTCMCDBPEDO-UHFFFAOYSA-N
XLogP1.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253038
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132321
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092869
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 136758156
5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
CID 115094215

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (CID 117141091) is 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is O=Cc1cccc2nnc(CC3CCCNC3)n12.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The InChIKey is TVVWTCMCDBPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-9-11-4-1-5-12-15-16-13(17(11)12)7-10-3-2-6-14-8-10/h1,4-5,9-10,14H,2-3,6-8H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).