5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole

C17H17N3O2 — CID 57390247

IUPAC5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2nncc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)12-20-17(11-18-19-20)14-5-9-16(22-2)10-6-14/h3-11H,12H2,1-2H3
InChIKeyFBJPNIGWUGXSHE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole (PubChem CID 57390247) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
PubChem CID57390247
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2nncc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)12-20-17(11-18-19-20)14-5-9-16(22-2)10-6-14/h3-11H,12H2,1-2H3
InChIKeyFBJPNIGWUGXSHE-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

Analyze 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789346
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
4-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
CID 24793540
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793586
6-(4-Anisolyl)triazolylhexahydroxamic acid
CID 25068481

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole (CID 57390247) is 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole is COc1ccc(Cn2nncc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole?
The InChIKey is FBJPNIGWUGXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)12-20-17(11-18-19-20)14-5-9-16(22-2)10-6-14/h3-11H,12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole?
5-(4-methoxyphenyl)-1-[(4-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 5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole is sourced from PubChem (CID 57390247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).