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

C16H15N3O — CID 115393487

IUPAC3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
SMILESCOc1ccc(Cc2nncn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)11-16-18-17-12-19(16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyFDUFKHURLUFBHZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.87
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole (PubChem CID 115393487) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
PubChem CID115393487
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
SMILESCOc1ccc(Cc2nncn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)11-16-18-17-12-19(16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyFDUFKHURLUFBHZ-UHFFFAOYSA-N
XLogP2.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-benzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 141167246
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111410525
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
4-phenyl-3-(propoxymethyl)-1,2,4-triazole
CID 107944041
3-benzyl-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850593
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573205

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole (CID 115393487) is 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole is COc1ccc(Cc2nncn2-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole?
The InChIKey is FDUFKHURLUFBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)11-16-18-17-12-19(16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole?
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).