5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole

C6H8F3N3O — CID 157031097

IUPAC5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
SMILESCc1ncnn1CCOC(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-5-10-4-11-12(5)2-3-13-6(7,8)9/h4H,2-3H2,1H3
InChIKeyAFJUMZXDEOIADV-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole

5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole (PubChem CID 157031097) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
PubChem CID157031097
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
SMILESCc1ncnn1CCOC(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-5-10-4-11-12(5)2-3-13-6(7,8)9/h4H,2-3H2,1H3
InChIKeyAFJUMZXDEOIADV-UHFFFAOYSA-N
XLogP1.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole (CID 157031097) is 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole is Cc1ncnn1CCOC(F)(F)F.
What is the InChIKey of 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The InChIKey is AFJUMZXDEOIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-5-10-4-11-12(5)2-3-13-6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole has a molecular weight of 195.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 157031097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).