[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol

C10H8F3N3O — CID 82200236

IUPAC[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)9-8(6-17)14-15-16(9)7-4-2-1-3-5-7/h1-5,17H,6H2
InChIKeyXPDALHSILBXOGV-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.78
Rot. Bonds2

About [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol

[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82200236) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82200236
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)9-8(6-17)14-15-16(9)7-4-2-1-3-5-7/h1-5,17H,6H2
InChIKeyXPDALHSILBXOGV-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
1H-1,2,3-Triazole-4,5-dimethanol, 1-phenyl-
CID 254854
{4-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-yl}methanol
CID 715064
2-(1-Phenyl-5-trifluoromethyl-1H-[1,2,3]triazol-4-yl)-propan-2-ol
CID 652801
[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanol
CID 53364717
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828290
[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828292
1H-1,2,3-Triazole-4-methanol, alpha-methyl-1-phenyl-
CID 19880800
2-[3-Phenyl-5-(trifluoromethyl)triazol-4-yl]propan-2-ol
CID 3144321
1-(4-Fluorophenyl)-1H-1,2,3-triazole-4,5-dimethanol
CID 4912831
[3-(4-Fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 19914668

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82200236) is [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol is OCc1nnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is XPDALHSILBXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)9-8(6-17)14-15-16(9)7-4-2-1-3-5-7/h1-5,17H,6H2.
What are the key properties of [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82200236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).