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

C12H12F3N3O — CID 56711503

IUPAC3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESOCCCc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-4-10(7-9)18-8-16-17-11(18)5-2-6-19/h1,3-4,7-8,19H,2,5-6H2
InChIKeySENHINMLMOAVLE-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.21
Rot. Bonds4

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

3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 56711503) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID56711503
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESOCCCc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-4-10(7-9)18-8-16-17-11(18)5-2-6-19/h1,3-4,7-8,19H,2,5-6H2
InChIKeySENHINMLMOAVLE-UHFFFAOYSA-N
XLogP2.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-Methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 155461366
3-[4-(3-Methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461374
3-[5-Methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 155461363
(4-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707894
4-{3-[4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]propyl}morpholine
CID 56700466
(4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665991
4-(2,4-Difluorophenyl)-3-phenyl-1,2,4-triazole
CID 32157684
5-({4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-1H-tetrazole
CID 56704436
3-propyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 56709330
3-(1-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 56718913
3-[3-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline
CID 72844206
(3R)-1-methyl-3-[2-[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]piperidine
CID 97118109

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol (CID 56711503) is 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol is OCCCc1nncn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is SENHINMLMOAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-4-10(7-9)18-8-16-17-11(18)5-2-6-19/h1,3-4,7-8,19H,2,5-6H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 271.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 56711503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).