4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole

C23H21N3O2 — CID 44577936

IUPAC4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole
SMILESCOc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3
InChIKeyDJBBIRTUOREGET-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.93
Rot. Bonds5

About 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole

4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole (PubChem CID 44577936) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole
PubChem CID44577936
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole
SMILESCOc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3
InChIKeyDJBBIRTUOREGET-UHFFFAOYSA-N
XLogP4.93
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

PS-13 C-11
CID 138320044
Asp-6537
CID 9922739
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
Asn02563583
CID 3167869
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473372
4-(4-Methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole
CID 1424303
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-4-(2-methoxyphenyl)-5-methyl-
CID 5034737
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-[5-butyl-1-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 166631239

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole (CID 44577936) is 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole is COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole?
The InChIKey is DJBBIRTUOREGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole?
4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole has a molecular weight of 371.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)phenyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 44577936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).