6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde

C9H8N4O — CID 142404320

IUPAC6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Cn2ccnn2)n1
InChIInChI=1S/C9H8N4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13/h1-5,7H,6H2
InChIKeyHEWIZROZNZODIG-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.53
Rot. Bonds3

About 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde

6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde (PubChem CID 142404320) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
PubChem CID142404320
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(Cn2ccnn2)n1
InChIInChI=1S/C9H8N4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13/h1-5,7H,6H2
InChIKeyHEWIZROZNZODIG-UHFFFAOYSA-N
XLogP0.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde (CID 142404320) is 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde is O=Cc1cccc(Cn2ccnn2)n1.
What is the InChIKey of 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The InChIKey is HEWIZROZNZODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13/h1-5,7H,6H2.
What are the key properties of 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 142404320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).