5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine

C5H6BrF3N4O — CID 103098625

IUPAC5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(CCOC(F)(F)F)n1
InChIInChI=1S/C5H6BrF3N4O/c6-3-11-4(10)12-13(3)1-2-14-5(7,8)9/h1-2H2,(H2,10,12)
InChIKeyLQGARKLBODSLSR-UHFFFAOYSA-N
MW275.03 g/mol
LogP1.16
Rot. Bonds3

About 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine

5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine (PubChem CID 103098625) has the molecular formula C5H6BrF3N4O and a molecular weight of 275.03 g/mol. Its IUPAC name is 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine
PubChem CID103098625
Molecular FormulaC5H6BrF3N4O
Molecular Weight275.03 g/mol
Exact Mass273.97
IUPAC Name5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(CCOC(F)(F)F)n1
InChIInChI=1S/C5H6BrF3N4O/c6-3-11-4(10)12-13(3)1-2-14-5(7,8)9/h1-2H2,(H2,10,12)
InChIKeyLQGARKLBODSLSR-UHFFFAOYSA-N
XLogP1.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.03
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098728
5-bromo-1-(2-propoxyethyl)-1,2,4-triazol-3-amine
CID 106452735
2-[2-(3-amino-5-bromo-1,2,4-triazol-1-yl)ethoxy]ethanol
CID 103098445
5-bromo-1-[2-(3-methylbutoxy)ethyl]-1,2,4-triazol-3-amine
CID 103098448
5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
CID 165480189
methyl 3-(3-amino-5-bromo-1,2,4-triazol-1-yl)propanoate
CID 103098621
5-bromo-1-(2-methylsulfinylethyl)-1,2,4-triazol-3-amine
CID 130789722
5-bromo-1-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-amine
CID 130639946
3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-ol
CID 165473659
5-bromo-1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 103098532
5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
CID 103098470
5-bromo-1-(2-methoxybutyl)-1,2,4-triazol-3-amine
CID 165479454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine (CID 103098625) is 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine is Nc1nc(Br)n(CCOC(F)(F)F)n1.
What is the InChIKey of 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine?
The InChIKey is LQGARKLBODSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF3N4O/c6-3-11-4(10)12-13(3)1-2-14-5(7,8)9/h1-2H2,(H2,10,12).
What are the key properties of 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine?
5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine has a molecular weight of 275.03 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).