3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

C12H13N3O2 — CID 117143568

IUPAC3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(CC3CCCO3)nnc2c1
InChIInChI=1S/C12H13N3O2/c16-8-9-3-4-15-11(6-9)13-14-12(15)7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7H2
InChIKeyXGVXRZHKRDFBJB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.26
Rot. Bonds3

About 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 117143568) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID117143568
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(CC3CCCO3)nnc2c1
InChIInChI=1S/C12H13N3O2/c16-8-9-3-4-15-11(6-9)13-14-12(15)7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7H2
InChIKeyXGVXRZHKRDFBJB-UHFFFAOYSA-N
XLogP1.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144169
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
3-(oxan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141070
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143667
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143547
3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82391567
3-(oxolan-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143539
1-[3-(oxolan-2-yl)propyl]pyrrole-3-carbaldehyde
CID 66408577
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82404564
3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117144223
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 117143568) is 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(CC3CCCO3)nnc2c1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is XGVXRZHKRDFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-8-9-3-4-15-11(6-9)13-14-12(15)7-10-2-1-5-17-10/h3-4,6,8,10H,1-2,5,7H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).