4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole

C19H21N3O — CID 58066567

IUPAC4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
SMILESCCc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-5-14-6-8-15(9-7-14)18-19(21-22-20-18)16-10-12(2)13(3)17(11-16)23-4/h6-11H,5H2,1-4H3,(H,20,21,22)
InChIKeyGWKYNVJPWJRIAV-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.33
Rot. Bonds4

About 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole

4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole (PubChem CID 58066567) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
PubChem CID58066567
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
SMILESCCc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-5-14-6-8-15(9-7-14)18-19(21-22-20-18)16-10-12(2)13(3)17(11-16)23-4/h6-11H,5H2,1-4H3,(H,20,21,22)
InChIKeyGWKYNVJPWJRIAV-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59430286
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
1-methyl-5-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]tetrazole
CID 59430243
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270
3-(4-ethylphenyl)-4-methyl-1H-pyridazin-6-one
CID 62783668
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
methyl 5-(3,4-dimethylphenyl)-2H-triazole-4-carboxylate
CID 121003420
2-methoxy-5-[5-(7-methyl-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol
CID 58066614
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The IUPAC name of 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole (CID 58066567) is 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The canonical SMILES for 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole is CCc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The InChIKey is GWKYNVJPWJRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-5-14-6-8-15(9-7-14)18-19(21-22-20-18)16-10-12(2)13(3)17(11-16)23-4/h6-11H,5H2,1-4H3,(H,20,21,22).
What are the key properties of 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole has a molecular weight of 307.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole is sourced from PubChem (CID 58066567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).