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

C10H8F3N3 — CID 141281301

IUPAC5-methyl-1-[4-(trifluoromethyl)phenyl]triazole
SMILESCc1cnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3/c1-7-6-14-15-16(7)9-4-2-8(3-5-9)10(11,12)13/h2-6H,1H3
InChIKeyBJJNIFRXFJVLBR-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.59
Rot. Bonds1

About 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole

5-methyl-1-[4-(trifluoromethyl)phenyl]triazole (PubChem CID 141281301) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name5-methyl-1-[4-(trifluoromethyl)phenyl]triazole
PubChem CID141281301
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name5-methyl-1-[4-(trifluoromethyl)phenyl]triazole
SMILESCc1cnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3/c1-7-6-14-15-16(7)9-4-2-8(3-5-9)10(11,12)13/h2-6H,1H3
InChIKeyBJJNIFRXFJVLBR-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 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole (CID 141281301) is 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole is Cc1cnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole?
The InChIKey is BJJNIFRXFJVLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-7-6-14-15-16(7)9-4-2-8(3-5-9)10(11,12)13/h2-6H,1H3.
What are the key properties of 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole?
5-methyl-1-[4-(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 5-methyl-1-[4-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 141281301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).