7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C25H15BrN4 — CID 141474015

IUPAC7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C25H15BrN4/c26-20-13-11-17(12-14-20)21-15-23(18-7-3-1-4-8-18)30-25(22(21)16-27)28-24(29-30)19-9-5-2-6-10-19/h1-15H
InChIKeyBZPLSRUVJADPIG-UHFFFAOYSA-N
MW451.33 g/mol
LogP6.36
Rot. Bonds3

About 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 141474015) has the molecular formula C25H15BrN4 and a molecular weight of 451.33 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID141474015
Molecular FormulaC25H15BrN4
Molecular Weight451.33 g/mol
Exact Mass450.05
IUPAC Name7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C25H15BrN4/c26-20-13-11-17(12-14-20)21-15-23(18-7-3-1-4-8-18)30-25(22(21)16-27)28-24(29-30)19-9-5-2-6-10-19/h1-15H
InChIKeyBZPLSRUVJADPIG-UHFFFAOYSA-N
XLogP6.36
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.33
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile
CID 70888367
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
6-butyl-5-chloro-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151572
(5E)-5-benzylidene-6-isocyano-2-phenylpyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
CID 59055237
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-phenylpyridine-3-carbonitrile
CID 3613815
5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 135519395

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 141474015) is 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)n2nc(-c3ccccc3)nc12.
What is the InChIKey of 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is BZPLSRUVJADPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrN4/c26-20-13-11-17(12-14-20)21-15-23(18-7-3-1-4-8-18)30-25(22(21)16-27)28-24(29-30)19-9-5-2-6-10-19/h1-15H.
What are the key properties of 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 451.33 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 141474015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).