2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium

C12H8ClN3O — CID 10467069

IUPAC2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
SMILES[O-][n+]1c(-c2ccc(Cl)cc2)nc2ccccn21
InChIInChI=1S/C12H8ClN3O/c13-10-6-4-9(5-7-10)12-14-11-3-1-2-8-15(11)16(12)17/h1-8H
InChIKeyBXVJKKHVSDACSH-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.29
Rot. Bonds1

About 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium

2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium (PubChem CID 10467069) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
PubChem CID10467069
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
SMILES[O-][n+]1c(-c2ccc(Cl)cc2)nc2ccccn21
InChIInChI=1S/C12H8ClN3O/c13-10-6-4-9(5-7-10)12-14-11-3-1-2-8-15(11)16(12)17/h1-8H
InChIKeyBXVJKKHVSDACSH-UHFFFAOYSA-N
XLogP2.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium 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

2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
6-Bromo-2-(4-bromophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
CID 1117930
6-Bromo-2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-A]pyridine
CID 71743981
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium?
The IUPAC name of 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium (CID 10467069) is 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium.
What is the SMILES notation for 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium?
The canonical SMILES for 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium is [O-][n+]1c(-c2ccc(Cl)cc2)nc2ccccn21.
What is the InChIKey of 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium?
The InChIKey is BXVJKKHVSDACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-10-6-4-9(5-7-10)12-14-11-3-1-2-8-15(11)16(12)17/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium?
2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium has a molecular weight of 245.67 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium is sourced from PubChem (CID 10467069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).