2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C15H20N4O — CID 117136569

IUPAC2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESCC(C)N1CCCCC1c1nc2c(C=O)cccn2n1
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-3-7-13(18)14-16-15-12(10-20)6-5-9-19(15)17-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyBEFQGVXNANMRRP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117136569) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117136569
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESCC(C)N1CCCCC1c1nc2c(C=O)cccn2n1
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-3-7-13(18)14-16-15-12(10-20)6-5-9-19(15)17-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyBEFQGVXNANMRRP-UHFFFAOYSA-N
XLogP2.48
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 83829233
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134207
methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129737
[2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117131748
2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136050
1-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propan-2-amine
CID 83866106
2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154115
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136566
2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
CID 83880900
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117136569) is 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is CC(C)N1CCCCC1c1nc2c(C=O)cccn2n1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is BEFQGVXNANMRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)18-8-4-3-7-13(18)14-16-15-12(10-20)6-5-9-19(15)17-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117136569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).