2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C14H13N3O — CID 117130281

IUPAC2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(Cc3ccccc3)nn2c1
InChIInChI=1S/C14H13N3O/c1-18-12-7-8-14-15-13(16-17(14)10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyILPSMVOWYKXFRS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds3

About 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine

2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130281) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130281
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc2nc(Cc3ccccc3)nn2c1
InChIInChI=1S/C14H13N3O/c1-18-12-7-8-14-15-13(16-17(14)10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyILPSMVOWYKXFRS-UHFFFAOYSA-N
XLogP2.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 117130281) is 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc2nc(Cc3ccccc3)nn2c1.
What is the InChIKey of 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ILPSMVOWYKXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-12-7-8-14-15-13(16-17(14)10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 239.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).