4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole

C16H12F3N3O2 — CID 11638573

IUPAC4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
SMILESCOc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-6-2-11(3-7-13)15-10-22(21-20-15)12-4-8-14(9-5-12)24-16(17,18)19/h2-10H,1H3
InChIKeyOELGLQGRQPMEBP-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole

4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole (PubChem CID 11638573) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
PubChem CID11638573
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
SMILESCOc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-6-2-11(3-7-13)15-10-22(21-20-15)12-4-8-14(9-5-12)24-16(17,18)19/h2-10H,1H3
InChIKeyOELGLQGRQPMEBP-UHFFFAOYSA-N
XLogP3.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(3,5-Difluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 151462704
(NE)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6894322
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
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
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N-methylaniline
CID 16736234
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole (CID 11638573) is 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole is COc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole?
The InChIKey is OELGLQGRQPMEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-23-13-6-2-11(3-7-13)15-10-22(21-20-15)12-4-8-14(9-5-12)24-16(17,18)19/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole?
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole has a molecular weight of 335.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole is sourced from PubChem (CID 11638573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).