2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

C17H16N4 — CID 82567186

IUPAC2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC(C)(C)c1ccc(-c2nc3cc(C#N)ccn3n2)cc1
InChIInChI=1S/C17H16N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-10H,1-3H3
InChIKeyPEBCQXODFNAXCE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.57
Rot. Bonds1

About 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 82567186) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID82567186
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC(C)(C)c1ccc(-c2nc3cc(C#N)ccn3n2)cc1
InChIInChI=1S/C17H16N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-10H,1-3H3
InChIKeyPEBCQXODFNAXCE-UHFFFAOYSA-N
XLogP3.57
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567201
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile
CID 176614135
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567151
2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566407
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566323
2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567164
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
4-[4-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoranthen-3-yl]benzonitrile
CID 156575664
3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (CID 82567186) is 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is CC(C)(C)c1ccc(-c2nc3cc(C#N)ccn3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is PEBCQXODFNAXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-17(2,3)14-6-4-13(5-7-14)16-19-15-10-12(11-18)8-9-21(15)20-16/h4-10H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 82567186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).