5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one

C18H18F3N3O3 — CID 67559004

IUPAC5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one
SMILESCOC1NN(C)C(=O)N1c1c(C)cccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-4-9-14(15(11)24-16(26-3)22-23(2)17(24)25)27-13-8-5-7-12(10-13)18(19,20)21/h4-10,16,22H,1-3H3
InChIKeyIGLBXDIXPHVBAJ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.11
Rot. Bonds4

About 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one

5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one (PubChem CID 67559004) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one
PubChem CID67559004
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one
SMILESCOC1NN(C)C(=O)N1c1c(C)cccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-4-9-14(15(11)24-16(26-3)22-23(2)17(24)25)27-13-8-5-7-12(10-13)18(19,20)21/h4-10,16,22H,1-3H3
InChIKeyIGLBXDIXPHVBAJ-UHFFFAOYSA-N
XLogP4.11
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine
CID 155732807
3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344344
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
1-methyl-3-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 88774797
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 13020007
4-[2-(3-fluorophenoxy)-6-methylphenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 139887241
5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 155353353

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one?
The IUPAC name of 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one (CID 67559004) is 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one.
What is the SMILES notation for 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one?
The canonical SMILES for 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one is COC1NN(C)C(=O)N1c1c(C)cccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one?
The InChIKey is IGLBXDIXPHVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11-6-4-9-14(15(11)24-16(26-3)22-23(2)17(24)25)27-13-8-5-7-12(10-13)18(19,20)21/h4-10,16,22H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one?
5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one has a molecular weight of 381.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one is sourced from PubChem (CID 67559004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).