1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole

C21H17N3 — CID 134846974

IUPAC1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
SMILESCc1ccccc1-n1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N3/c1-16-10-8-9-15-19(16)24-21(18-13-6-3-7-14-18)22-20(23-24)17-11-4-2-5-12-17/h2-15H,1H3
InChIKeyIGQGKWLUSITZNW-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.91
Rot. Bonds3

About 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole

1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole (PubChem CID 134846974) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
PubChem CID134846974
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
SMILESCc1ccccc1-n1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H17N3/c1-16-10-8-9-15-19(16)24-21(18-13-6-3-7-14-18)22-20(23-24)17-11-4-2-5-12-17/h2-15H,1H3
InChIKeyIGQGKWLUSITZNW-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
1-[5-[3,5-bis[4-(4-methylphenyl)phenyl]-1,2,4-triazol-1-yl]naphthalen-1-yl]-3,5-bis[4-(4-methylphenyl)phenyl]-1,2,4-triazole
CID 89203630
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
CID 50968173
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
5-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-ethylphenazine
CID 121244864
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
CID 70155466

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole (CID 134846974) is 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole is Cc1ccccc1-n1nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole?
The InChIKey is IGQGKWLUSITZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-16-10-8-9-15-19(16)24-21(18-13-6-3-7-14-18)22-20(23-24)17-11-4-2-5-12-17/h2-15H,1H3.
What are the key properties of 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole?
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole has a molecular weight of 311.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 134846974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).