4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole

C21H25N3O — CID 59430286

IUPAC4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
SMILESCCc1cc(-c2n[nH]nc2-c2ccc(OC)cc2)cc(CC)c1CC
InChIInChI=1S/C21H25N3O/c1-5-14-12-17(13-15(6-2)19(14)7-3)21-20(22-24-23-21)16-8-10-18(25-4)11-9-16/h8-13H,5-7H2,1-4H3,(H,22,23,24)
InChIKeyIFHRSXUMYIHZJN-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.83
Rot. Bonds6

About 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole

4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole (PubChem CID 59430286) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
PubChem CID59430286
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
SMILESCCc1cc(-c2n[nH]nc2-c2ccc(OC)cc2)cc(CC)c1CC
InChIInChI=1S/C21H25N3O/c1-5-14-12-17(13-15(6-2)19(14)7-3)21-20(22-24-23-21)16-8-10-18(25-4)11-9-16/h8-13H,5-7H2,1-4H3,(H,22,23,24)
InChIKeyIFHRSXUMYIHZJN-UHFFFAOYSA-N
XLogP4.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
CID 58066567
4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
CID 105499752
5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
2-ethyl-4-(6-methoxynaphthalen-2-yl)phenol
CID 57242092
3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781786
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole
CID 131698353
4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430225

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole (CID 59430286) is 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole is CCc1cc(-c2n[nH]nc2-c2ccc(OC)cc2)cc(CC)c1CC.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole?
The InChIKey is IFHRSXUMYIHZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-5-14-12-17(13-15(6-2)19(14)7-3)21-20(22-24-23-21)16-8-10-18(25-4)11-9-16/h8-13H,5-7H2,1-4H3,(H,22,23,24).
What are the key properties of 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole?
4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole has a molecular weight of 335.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole is sourced from PubChem (CID 59430286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).