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

C17H17N3O — CID 24789344

IUPAC4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-13-3-5-14(6-4-13)11-20-12-17(18-19-20)15-7-9-16(21-2)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeySZVLMPHZESYLRQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.31
Rot. Bonds4

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

4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole (PubChem CID 24789344) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole
PubChem CID24789344
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-13-3-5-14(6-4-13)11-20-12-17(18-19-20)15-7-9-16(21-2)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeySZVLMPHZESYLRQ-UHFFFAOYSA-N
XLogP3.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
CID 44627437
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
2-(4-Butoxy-phenyl)-pyrazine
CID 11345209
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole (CID 24789344) is 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole is COc1ccc(-c2cn(Cc3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole?
The InChIKey is SZVLMPHZESYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-3-5-14(6-4-13)11-20-12-17(18-19-20)15-7-9-16(21-2)10-8-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole?
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole has a molecular weight of 279.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]triazole is sourced from PubChem (CID 24789344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).