N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine

C5H6F3N3O — CID 56760730

IUPACN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(C(F)(F)F)no1
InChIInChI=1S/C5H6F3N3O/c1-9-2-3-10-4(11-12-3)5(6,7)8/h9H,2H2,1H3
InChIKeyZQTUIJDDWMATEM-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.81
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine

N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 56760730) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID56760730
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(C(F)(F)F)no1
InChIInChI=1S/C5H6F3N3O/c1-9-2-3-10-4(11-12-3)5(6,7)8/h9H,2H2,1H3
InChIKeyZQTUIJDDWMATEM-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 56760730) is N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZQTUIJDDWMATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-9-2-3-10-4(11-12-3)5(6,7)8/h9H,2H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 181.12 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 56760730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).