4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole

C17H17N3O2 — CID 24793760

IUPAC4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(-c2cn(Cc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-8-6-14(7-9-15)17-12-20(19-18-17)11-13-4-3-5-16(10-13)22-2/h3-10,12H,11H2,1-2H3
InChIKeyVAZNVCICBGRZOI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole

4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole (PubChem CID 24793760) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole
PubChem CID24793760
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(-c2cn(Cc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-8-6-14(7-9-15)17-12-20(19-18-17)11-13-4-3-5-16(10-13)22-2/h3-10,12H,11H2,1-2H3
InChIKeyVAZNVCICBGRZOI-UHFFFAOYSA-N
XLogP3.01
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methylphenoxy)-5-[(4-Phenyl-1h-1,2,3-Triazol-1-Yl)methyl]phenol
CID 91826693
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
4-[(4-Heptyltriazol-1-yl)methyl]-5-iodo-2-methoxyphenol
CID 162651556
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
CID 25068485
4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)phenol
CID 50908752
(3R)-3-[4-(4-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70674993

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole (CID 24793760) is 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole is COc1ccc(-c2cn(Cc3cccc(OC)c3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole?
The InChIKey is VAZNVCICBGRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-8-6-14(7-9-15)17-12-20(19-18-17)11-13-4-3-5-16(10-13)22-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole?
4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole has a molecular weight of 295.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole is sourced from PubChem (CID 24793760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).