[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol

C11H10F3N3O — CID 113301773

IUPAC[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-9(6-18)15-16-10(17)7-3-2-4-8(5-7)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyZETYODUGNXCIDH-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.99
Rot. Bonds2

About [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 113301773) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol
PubChem CID113301773
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-9(6-18)15-16-10(17)7-3-2-4-8(5-7)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyZETYODUGNXCIDH-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazole-3,5-dimethanol, 1-benzyl-
CID 562532
4H-1,2,4-Triazole, 3-methoxy-4-methyl-5-phenyl-
CID 3039312
(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 11528485
(5-{[1-(3,4-dimethylbenzyl)piperidin-4-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 50973441
(5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl)methanol
CID 79600891
[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]methanol
CID 79022259
[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 115396638
[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 115396967
2,2,2-Trifluoro-1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
CID 83389068
4-Methyl-5-(4-trifluoromethylphenyl)-4h-1,2,4-triazol-3-ylmethanol
CID 113301760
3-(Chloromethyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole
CID 113302135
(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)methanol
CID 13224129

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol (CID 113301773) is [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZETYODUGNXCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-9(6-18)15-16-10(17)7-3-2-4-8(5-7)11(12,13)14/h2-5,18H,6H2,1H3.
What are the key properties of [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).