(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol

C11H10F3N3O — CID 112735947

IUPAC(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(C(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-17-15-6-9(16-17)10(18)7-3-2-4-8(5-7)11(12,13)14/h2-6,10,18H,1H3
InChIKeyZPGHQUVHLXWTON-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.92
Rot. Bonds2

About (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol

(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 112735947) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID112735947
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(C(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-17-15-6-9(16-17)10(18)7-3-2-4-8(5-7)11(12,13)14/h2-6,10,18H,1H3
InChIKeyZPGHQUVHLXWTON-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 112735947) is (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol is Cn1ncc(C(O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZPGHQUVHLXWTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-15-6-9(16-17)10(18)7-3-2-4-8(5-7)11(12,13)14/h2-6,10,18H,1H3.
What are the key properties of (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol?
(2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 112735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).