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

C13H16N4O — CID 117138470

IUPAC3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCN1CCC(c2nnc3ccc(C=O)cn23)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-4-11(5-7-16)13-15-14-12-3-2-10(9-18)8-17(12)13/h2-3,8-9,11H,4-7H2,1H3
InChIKeyOIRVOLKBUXCWEK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.35
Rot. Bonds2

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

3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 117138470) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID117138470
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCN1CCC(c2nnc3ccc(C=O)cn23)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-4-11(5-7-16)13-15-14-12-3-2-10(9-18)8-17(12)13/h2-3,8-9,11H,4-7H2,1H3
InChIKeyOIRVOLKBUXCWEK-UHFFFAOYSA-N
XLogP1.35
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.35
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

6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138448
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138544
6-methyl-3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138746
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143490
6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86687134
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
CID 83893633
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde
CID 83835492
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 117138470) is 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is CN1CCC(c2nnc3ccc(C=O)cn23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is OIRVOLKBUXCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-6-4-11(5-7-16)13-15-14-12-3-2-10(9-18)8-17(12)13/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).