4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole

C22H19N3O — CID 5034737

IUPAC4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-10-6-7-11-21(20)26-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyMHJPVIGLQHLUFI-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds4

About 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole

4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 5034737) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
PubChem CID5034737
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-10-6-7-11-21(20)26-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyMHJPVIGLQHLUFI-UHFFFAOYSA-N
XLogP4.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Asp-6537
CID 9922739
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
3-[4-[5-butyl-1-[4-(4-methylphenyl)phenyl]-1,2,4-triazol-3-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 166626055
3-(4-Ethoxy-phenyl)-4,5-diphenyl-4H-[1,2,4]triazole
CID 798145
4-(4-ethoxyphenyl)-3,5-diphenyl-4H-1,2,4-triazole
CID 798454
3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazole
CID 1037079
3-Biphenyl-4-yl-4-(4-methoxy-phenyl)-5-methyl-4H-[1,2,4]triazole
CID 4353841
1-{7-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-heptyl}-4-methyl-piperazine
CID 10142915
1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-4-methyl-piperazine
CID 10164478
1-{8-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-octyl}-4-methyl-piperazine
CID 10165683
1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-piperidine
CID 10206901

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole (CID 5034737) is 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole is COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is MHJPVIGLQHLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-10-6-7-11-21(20)26-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15H,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 341.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 5034737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).