3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C15H20N4O — CID 117138544

IUPAC3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCCC1c1nnc2ccc(C=O)cn12
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-3-5-13(18)15-17-16-14-7-6-12(10-20)9-19(14)15/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyPGYMSTJRBBLJOF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds3

About 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 117138544) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID117138544
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCCC1c1nnc2ccc(C=O)cn12
InChIInChI=1S/C15H20N4O/c1-11(2)18-8-4-3-5-13(18)15-17-16-14-7-6-12(10-20)9-19(14)15/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyPGYMSTJRBBLJOF-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'}

Analyze 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde with MolForge

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Related Compounds

3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139189
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139116
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138528
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138470
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138448
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139167
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138556
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142605
[3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 131640031
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139190

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 117138544) is 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is CC(C)N1CCCCC1c1nnc2ccc(C=O)cn12.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is PGYMSTJRBBLJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)18-8-4-3-5-13(18)15-17-16-14-7-6-12(10-20)9-19(14)15/h6-7,9-11,13H,3-5,8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-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 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).