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

C17H14F3N3O — CID 24793539

IUPAC1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole
SMILESCOc1cccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)c1
InChIInChI=1S/C17H14F3N3O/c1-24-15-7-2-4-12(8-15)10-23-11-16(21-22-23)13-5-3-6-14(9-13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyHUYVLXPODZQLEN-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.02
Rot. Bonds4

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

1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole (PubChem CID 24793539) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole
PubChem CID24793539
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole
SMILESCOc1cccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)c1
InChIInChI=1S/C17H14F3N3O/c1-24-15-7-2-4-12(8-15)10-23-11-16(21-22-23)13-5-3-6-14(9-13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyHUYVLXPODZQLEN-UHFFFAOYSA-N
XLogP4.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
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
(3R)-3-[4-(3-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943908
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
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-(3-Carbamimidoylphenyl)triazol-1-yl]-3-methoxybenzenecarboximidamide;dihydrochloride
CID 44627430
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
[3-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145960713

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole (CID 24793539) is 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole is COc1cccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole?
The InChIKey is HUYVLXPODZQLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-24-15-7-2-4-12(8-15)10-23-11-16(21-22-23)13-5-3-6-14(9-13)17(18,19)20/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole?
1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole has a molecular weight of 333.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 24793539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).