N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

C5H6F3N3O — CID 62595938

IUPACN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C5H6F3N3O/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyJYCUTMWFGKWENY-UHFFFAOYSA-N
MW181.12 g/mol
LogP1.22
Rot. Bonds2

About N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine

N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595938) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595938
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC NameN-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(CC(F)(F)F)no1
InChIInChI=1S/C5H6F3N3O/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyJYCUTMWFGKWENY-UHFFFAOYSA-N
XLogP1.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (CID 62595938) is N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is CNc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is JYCUTMWFGKWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-9-4-10-3(11-12-4)2-5(6,7)8/h2H2,1H3,(H,9,10,11).
What are the key properties of N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 181.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).