5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C6H7N3 — CID 118369191

IUPAC5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCn2cnnc2C1
InChIInChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-2,5H,3-4H2
InChIKeyIPOSBVGWCWJPNH-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.39
Rot. Bonds

About 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118369191) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118369191
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCn2cnnc2C1
InChIInChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-2,5H,3-4H2
InChIKeyIPOSBVGWCWJPNH-UHFFFAOYSA-N
XLogP0.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine 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 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 118369191) is 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C1=CCn2cnnc2C1.
What is the InChIKey of 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IPOSBVGWCWJPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-2,5H,3-4H2.
What are the key properties of 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 121.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118369191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).