3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine

C21H18N4 — CID 130422868

IUPAC3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c(C)n1
InChIInChI=1S/C21H18N4/c1-15-13-14-19(16(2)22-15)25-20(17-9-5-3-6-10-17)23-24-21(25)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyILRLUSIRAHWZRK-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds3

About 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine

3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine (PubChem CID 130422868) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine
PubChem CID130422868
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c(C)n1
InChIInChI=1S/C21H18N4/c1-15-13-14-19(16(2)22-15)25-20(17-9-5-3-6-10-17)23-24-21(25)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyILRLUSIRAHWZRK-UHFFFAOYSA-N
XLogP4.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[3-(2-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]pyrimidine
CID 158673977
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
CID 144738826
2,6-dimethyl-3-[3-(2-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine;iridium
CID 161210926
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
CID 118898296
4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
CID 50993662
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
7-chloro-3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene
CID 5279609
3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
CID 140615503

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine?
The IUPAC name of 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine (CID 130422868) is 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine.
What is the SMILES notation for 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine?
The canonical SMILES for 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine is Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c(C)n1.
What is the InChIKey of 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine?
The InChIKey is ILRLUSIRAHWZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-13-14-19(16(2)22-15)25-20(17-9-5-3-6-10-17)23-24-21(25)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine?
3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine is sourced from PubChem (CID 130422868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).