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

C5H6F3N3O — CID 83959787

IUPACN-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-9-2-3-10-11-4(12-3)5(6,7)8/h9H,2H2,1H3
InChIKeyKSRFACKKAAWAGL-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.81
Rot. Bonds2

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

N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 83959787) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID83959787
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-9-2-3-10-11-4(12-3)5(6,7)8/h9H,2H2,1H3
InChIKeyKSRFACKKAAWAGL-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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Related Compounds

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CID 62136861
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CID 62137035
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CID 62137238
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CID 62137733
CID 62137733
CID 62137936
CID 62137936
CID 62137966
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CID 62138111
CID 62138111

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 83959787) is N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(C(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is KSRFACKKAAWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-9-2-3-10-11-4(12-3)5(6,7)8/h9H,2H2,1H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-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-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 83959787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).