2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C17H19N3 — CID 82566407

IUPAC2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1
InChIInChI=1S/C17H19N3/c1-12-5-10-15-18-16(19-20(15)11-12)13-6-8-14(9-7-13)17(2,3)4/h5-11H,1-4H3
InChIKeyCSCOVWCVQPTEOA-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566407) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566407
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1
InChIInChI=1S/C17H19N3/c1-12-5-10-15-18-16(19-20(15)11-12)13-6-8-14(9-7-13)17(2,3)4/h5-11H,1-4H3
InChIKeyCSCOVWCVQPTEOA-UHFFFAOYSA-N
XLogP4.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566407) is 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CSCOVWCVQPTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-5-10-15-18-16(19-20(15)11-12)13-6-8-14(9-7-13)17(2,3)4/h5-11H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 265.36 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).