5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H10ClN3 — CID 610469

IUPAC5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H10ClN3/c1-9-5-7-10(8-6-9)13-16-15-12-4-2-3-11(14)17(12)13/h2-8H,1H3
InChIKeyWTMMDGBTCGBPEI-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.36
Rot. Bonds1

About 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 610469) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID610469
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H10ClN3/c1-9-5-7-10(8-6-9)13-16-15-12-4-2-3-11(14)17(12)13/h2-8H,1H3
InChIKeyWTMMDGBTCGBPEI-UHFFFAOYSA-N
XLogP3.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
5-Chloro-3-(3-nitrophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 623626
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
7-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3152515
7-Chloro-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3815037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 610469) is 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(-c2nnc3cccc(Cl)n23)cc1.
What is the InChIKey of 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WTMMDGBTCGBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-9-5-7-10(8-6-9)13-16-15-12-4-2-3-11(14)17(12)13/h2-8H,1H3.
What are the key properties of 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 243.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 610469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).