3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol

C18H16F3N3O2 — CID 90405525

IUPAC3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)26-16-8-6-15(7-9-16)24-12-22-17(23-24)14-5-1-3-13(11-14)4-2-10-25/h1,3,5-9,11-12,25H,2,4,10H2
InChIKeyWNUVEXCCUUVIRO-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.76
Rot. Bonds6

About 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol

3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol (PubChem CID 90405525) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol
PubChem CID90405525
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)26-16-8-6-15(7-9-16)24-12-22-17(23-24)14-5-1-3-13(11-14)4-2-10-25/h1,3,5-9,11-12,25H,2,4,10H2
InChIKeyWNUVEXCCUUVIRO-UHFFFAOYSA-N
XLogP3.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethanamine
CID 170370867
3-methylidene-2-[3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]isoindol-1-one
CID 123343509
4-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butan-1-amine
CID 90405182
1-[(2-propan-2-ylphenyl)carbamothioyl]-3-[4-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butyl]urea
CID 90404147
1-(2-ethylbenzenecarbothioyl)-3-[[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]urea
CID 161358287
3-(2,5-dimethylphenyl)-2-[hydroxy-[3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propylamino]methyl]imino-1,3-thiazolidin-4-one
CID 174146371
N-[3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-6-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]hexanethioamide
CID 160954254
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
N-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-4-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butanamide
CID 146762061
N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-6-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]hexanethioamide
CID 160567000
1-(3-methoxyphenyl)-4-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butan-2-one
CID 147534237
1-(2-phenylphenyl)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-one
CID 148736282

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol (CID 90405525) is 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol is OCCCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol?
The InChIKey is WNUVEXCCUUVIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)26-16-8-6-15(7-9-16)24-12-22-17(23-24)14-5-1-3-13(11-14)4-2-10-25/h1,3,5-9,11-12,25H,2,4,10H2.
What are the key properties of 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol?
3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol has a molecular weight of 363.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol is sourced from PubChem (CID 90405525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).