3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

C11H13N3O2 — CID 117145916

IUPAC3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCOCCCc1nnc2c(C=O)cccn12
InChIInChI=1S/C11H13N3O2/c1-16-7-3-5-10-12-13-11-9(8-15)4-2-6-14(10)11/h2,4,6,8H,3,5,7H2,1H3
InChIKeyOPMHWVSGSXMLLY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.12
Rot. Bonds5

About 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (PubChem CID 117145916) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
PubChem CID117145916
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCOCCCc1nnc2c(C=O)cccn12
InChIInChI=1S/C11H13N3O2/c1-16-7-3-5-10-12-13-11-9(8-15)4-2-6-14(10)11/h2,4,6,8H,3,5,7H2,1H3
InChIKeyOPMHWVSGSXMLLY-UHFFFAOYSA-N
XLogP1.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146178
3-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117146022
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-amino-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
CID 96630352
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147323
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 82417710
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
3-(3-methoxypropyl)imidazo[1,5-a]pyridin-6-amine
CID 117138688
2-[5-[2-(7-methoxyheptoxy)phenyl]thiadiazol-4-yl]benzaldehyde
CID 91098599
3-(chloromethyl)-4-cyclopropyl-5-(3-methoxypropyl)-1,2,4-triazole
CID 115397748
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
2-[2-amino-3-(2-methoxyethyl)phenyl]benzaldehyde
CID 154402292

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (CID 117145916) is 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is COCCCc1nnc2c(C=O)cccn12.
What is the InChIKey of 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The InChIKey is OPMHWVSGSXMLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-7-3-5-10-12-13-11-9(8-15)4-2-6-14(10)11/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde has a molecular weight of 219.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117145916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).