1-[4-methyl-3-(trifluoromethyl)phenyl]triazole

C10H8F3N3 — CID 143518882

IUPAC1-[4-methyl-3-(trifluoromethyl)phenyl]triazole
SMILESCc1ccc(-n2ccnn2)cc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-7-2-3-8(16-5-4-14-15-16)6-9(7)10(11,12)13/h2-6H,1H3
InChIKeyDXGRKEWJJVSYRJ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.59
Rot. Bonds1

About 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole

1-[4-methyl-3-(trifluoromethyl)phenyl]triazole (PubChem CID 143518882) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[4-methyl-3-(trifluoromethyl)phenyl]triazole
PubChem CID143518882
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-[4-methyl-3-(trifluoromethyl)phenyl]triazole
SMILESCc1ccc(-n2ccnn2)cc1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-7-2-3-8(16-5-4-14-15-16)6-9(7)10(11,12)13/h2-6H,1H3
InChIKeyDXGRKEWJJVSYRJ-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole (CID 143518882) is 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole is Cc1ccc(-n2ccnn2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole?
The InChIKey is DXGRKEWJJVSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-7-2-3-8(16-5-4-14-15-16)6-9(7)10(11,12)13/h2-6H,1H3.
What are the key properties of 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole?
1-[4-methyl-3-(trifluoromethyl)phenyl]triazole has a molecular weight of 227.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 143518882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).