N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine

C12H15F3N6O — CID 166314476

IUPACN,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN(Cc3cn[nH]c3C(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N6O/c1-20(2)11-17-10(22-19-11)8-5-21(6-8)4-7-3-16-18-9(7)12(13,14)15/h3,8H,4-6H2,1-2H3,(H,16,18)
InChIKeyHTJOIRFWJFLBBQ-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 166314476) has the molecular formula C12H15F3N6O and a molecular weight of 316.29 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID166314476
Molecular FormulaC12H15F3N6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC NameN,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN(Cc3cn[nH]c3C(F)(F)F)C2)n1
InChIInChI=1S/C12H15F3N6O/c1-20(2)11-17-10(22-19-11)8-5-21(6-8)4-7-3-16-18-9(7)12(13,14)15/h3,8H,4-6H2,1-2H3,(H,16,18)
InChIKeyHTJOIRFWJFLBBQ-UHFFFAOYSA-N
XLogP1.48
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine (CID 166314476) is N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CN(Cc3cn[nH]c3C(F)(F)F)C2)n1.
What is the InChIKey of N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is HTJOIRFWJFLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6O/c1-20(2)11-17-10(22-19-11)8-5-21(6-8)4-7-3-16-18-9(7)12(13,14)15/h3,8H,4-6H2,1-2H3,(H,16,18).
What are the key properties of N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 316.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]azetidin-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 166314476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).