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

C11H10F3N3O — CID 121496576

IUPAC[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCn1nc(C(F)(F)F)nc1-c1ccc(CO)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-9(15-10(16-17)11(12,13)14)8-4-2-7(6-18)3-5-8/h2-5,18H,6H2,1H3
InChIKeyMULLTXZDLFFLFE-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.99
Rot. Bonds2

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

[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol (PubChem CID 121496576) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
PubChem CID121496576
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol
SMILESCn1nc(C(F)(F)F)nc1-c1ccc(CO)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-9(15-10(16-17)11(12,13)14)8-4-2-7(6-18)3-5-8/h2-5,18H,6H2,1H3
InChIKeyMULLTXZDLFFLFE-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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Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol (CID 121496576) is [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol is Cn1nc(C(F)(F)F)nc1-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
The InChIKey is MULLTXZDLFFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-9(15-10(16-17)11(12,13)14)8-4-2-7(6-18)3-5-8/h2-5,18H,6H2,1H3.
What are the key properties of [4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol?
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]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-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methanol is sourced from PubChem (CID 121496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).