3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

C11H12N4O — CID 117143547

IUPAC3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(C3CCCN3)nnc2c1
InChIInChI=1S/C11H12N4O/c16-7-8-3-5-15-10(6-8)13-14-11(15)9-2-1-4-12-9/h3,5-7,9,12H,1-2,4H2
InChIKeyUBCUHNYDFUEGMU-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.97
Rot. Bonds2

About 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 117143547) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID117143547
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(C3CCCN3)nnc2c1
InChIInChI=1S/C11H12N4O/c16-7-8-3-5-15-10(6-8)13-14-11(15)9-2-1-4-12-9/h3,5-7,9,12H,1-2,4H2
InChIKeyUBCUHNYDFUEGMU-UHFFFAOYSA-N
XLogP0.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.97
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

3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140176
3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82391567
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143568
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140198
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 117143547) is 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(C3CCCN3)nnc2c1.
What is the InChIKey of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is UBCUHNYDFUEGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-7-8-3-5-15-10(6-8)13-14-11(15)9-2-1-4-12-9/h3,5-7,9,12H,1-2,4H2.
What are the key properties of 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).