2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C13H16N4O — CID 117130058

IUPAC2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H16N4O/c18-9-11-3-4-13-15-12(16-17(13)8-11)6-10-2-1-5-14-7-10/h3-4,8-10,14H,1-2,5-7H2
InChIKeyGCUYLCPOINXWGN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.08
Rot. Bonds3

About 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117130058) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117130058
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H16N4O/c18-9-11-3-4-13-15-12(16-17(13)8-11)6-10-2-1-5-14-7-10/h3-4,8-10,14H,1-2,5-7H2
InChIKeyGCUYLCPOINXWGN-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-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132321
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994
2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136050
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
N,6-dimethyl-N-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106642913

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 117130058) is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(CC3CCCNC3)nn2c1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is GCUYLCPOINXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-9-11-3-4-13-15-12(16-17(13)8-11)6-10-2-1-5-14-7-10/h3-4,8-10,14H,1-2,5-7H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-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 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).