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

C13H10ClN3 — CID 117134952

IUPAC2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(Cc3ccccc3)nc2c1
InChIInChI=1S/C13H10ClN3/c14-11-6-7-17-13(9-11)15-12(16-17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyWCPKWVVGSOWSEH-UHFFFAOYSA-N
MW243.70 g/mol
LogP2.97
Rot. Bonds2

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

2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134952) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134952
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(Cc3ccccc3)nc2c1
InChIInChI=1S/C13H10ClN3/c14-11-6-7-17-13(9-11)15-12(16-17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyWCPKWVVGSOWSEH-UHFFFAOYSA-N
XLogP2.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 117134952) is 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccn2nc(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WCPKWVVGSOWSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-11-6-7-17-13(9-11)15-12(16-17)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine?
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 243.70 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).