3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

C15H20N4O — CID 117141026

IUPAC3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESCC(C)N1CCCC(c2nnc3cccc(C=O)n23)C1
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-5-12(9-18)15-17-16-14-7-3-6-13(10-20)19(14)15/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyMVXWTFLHFHAONQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds3

About 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (PubChem CID 117141026) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
PubChem CID117141026
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESCC(C)N1CCCC(c2nnc3cccc(C=O)n23)C1
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-5-12(9-18)15-17-16-14-7-3-6-13(10-20)19(14)15/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyMVXWTFLHFHAONQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde with MolForge

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Related Compounds

3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145988
8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152608
5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
CID 117140458
5-(1-propan-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 73439906
5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83900543
3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142605
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117140967
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (CID 117141026) is 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is CC(C)N1CCCC(c2nnc3cccc(C=O)n23)C1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The InChIKey is MVXWTFLHFHAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)18-8-4-5-12(9-18)15-17-16-14-7-3-6-13(10-20)19(14)15/h3,6-7,10-12H,4-5,8-9H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).