3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole

C24H23N3 — CID 140615503

IUPAC3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-c1nnc(-c2ccccc2)n1-c1c(C)cccc1C
InChIInChI=1S/C24H23N3/c1-16-10-8-11-17(2)21(16)24-26-25-23(20-14-6-5-7-15-20)27(24)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3
InChIKeyVSADFFQOUKDGKI-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.83
Rot. Bonds3

About 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole

3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole (PubChem CID 140615503) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
PubChem CID140615503
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-c1nnc(-c2ccccc2)n1-c1c(C)cccc1C
InChIInChI=1S/C24H23N3/c1-16-10-8-11-17(2)21(16)24-26-25-23(20-14-6-5-7-15-20)27(24)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3
InChIKeyVSADFFQOUKDGKI-UHFFFAOYSA-N
XLogP5.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715
(NZ,Z)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride;2,6-dimethylaniline;4-(2,6-dimethylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 172936128
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 118544171
[2-(3-ethyl-5-phenyl-1,2,4-triazol-4-yl)-3-methylphenyl]phosphane
CID 146429697
3-(4-bromophenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-(2-methylphenyl)-1,2,4-triazole
CID 118676593
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 118544178
(NZ,1Z)-N-[chloro(phenyl)methylidene]-2-methylbenzenecarbohydrazonoyl chloride;4-(2,6-dimethylphenyl)-3-(2-methylphenyl)-5-phenyl-1,2,4-triazole;1,2,3-trimethylbenzene
CID 172982965
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
[4-[4-(4-tert-butylphenyl)-5-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]phenyl]-trimethylsilane
CID 76683684
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
3-(2,3-dimethylphenyl)-4-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole;3-(2,3-dimethylphenyl)-4-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole;bis(iridium);pentane-2,4-diol
CID 159381878

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole (CID 140615503) is 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole is Cc1cccc(C)c1-c1nnc(-c2ccccc2)n1-c1c(C)cccc1C.
What is the InChIKey of 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is VSADFFQOUKDGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-10-8-11-17(2)21(16)24-26-25-23(20-14-6-5-7-15-20)27(24)22-18(3)12-9-13-19(22)4/h5-15H,1-4H3.
What are the key properties of 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole?
3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 353.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 140615503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).