(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

C17H14F3N3O — CID 134153294

IUPAC(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)14-8-6-13(7-9-14)16(24)15-11-23(22-21-15)10-12-4-2-1-3-5-12/h1-9,11,16,24H,10H2
InChIKeyDDZROUDTVQRFRN-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.43
Rot. Bonds4

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

(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 134153294) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID134153294
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)14-8-6-13(7-9-14)16(24)15-11-23(22-21-15)10-12-4-2-1-3-5-12/h1-9,11,16,24H,10H2
InChIKeyDDZROUDTVQRFRN-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 134153294) is (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is DDZROUDTVQRFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)14-8-6-13(7-9-14)16(24)15-11-23(22-21-15)10-12-4-2-1-3-5-12/h1-9,11,16,24H,10H2.
What are the key properties of (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
(1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 333.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134153294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).