5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C7H6ClN3 — CID 9207834

IUPAC5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)n2ncnc2c1
InChIInChI=1S/C7H6ClN3/c1-5-2-6(8)11-7(3-5)9-4-10-11/h2-4H,1H3
InChIKeyWQABKUWTQOZTIG-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 9207834) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID9207834
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)n2ncnc2c1
InChIInChI=1S/C7H6ClN3/c1-5-2-6(8)11-7(3-5)9-4-10-11/h2-4H,1H3
InChIKeyWQABKUWTQOZTIG-UHFFFAOYSA-N
XLogP1.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.69
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-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
6,8-Dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 683683
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
Mls002693968
CID 253289
US10287286, Example 1
CID 122540625
US10287286, Example 2
CID 122540675
5-Chloro-3-p-tolyl-[1,2,4]triazolo[4,3-a]pyridine
CID 610469
5-Chloro-3-(1,1-dimethylethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 324436
7-Chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144460
7-(4-Chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 1487628
8-Chloro-3-(difluoromethyl)-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1489122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 9207834) is 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(Cl)n2ncnc2c1.
What is the InChIKey of 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WQABKUWTQOZTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-2-6(8)11-7(3-5)9-4-10-11/h2-4H,1H3.
What are the key properties of 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 167.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 9207834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).