N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine

C12H11F3N6OS — CID 155074895

IUPACN,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine
SMILESCN(C)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H11F3N6OS/c1-20(2)11-16-6-17-21(11)5-7-3-4-8(23-7)9-18-10(22-19-9)12(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyMSBNLXRTLPLUPF-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.52
Rot. Bonds4

About N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine

N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine (PubChem CID 155074895) has the molecular formula C12H11F3N6OS and a molecular weight of 344.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine
PubChem CID155074895
Molecular FormulaC12H11F3N6OS
Molecular Weight344.32 g/mol
Exact Mass344.07
IUPAC NameN,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine
SMILESCN(C)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H11F3N6OS/c1-20(2)11-16-6-17-21(11)5-7-3-4-8(23-7)9-18-10(22-19-9)12(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyMSBNLXRTLPLUPF-UHFFFAOYSA-N
XLogP2.52
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 146304689
N-ethyl-N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074976
1-[2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-3-yl]propan-1-one
CID 158800038
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
ethyl 2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
CID 155074907
N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
N-propyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074993
methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
CID 167103903
N-cyclobutyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074879
N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 146662686
N-pyridin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridin-2-amine
CID 153337946
2-ethoxy-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]ethanone
CID 160999689

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine (CID 155074895) is N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine is CN(C)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine?
The InChIKey is MSBNLXRTLPLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6OS/c1-20(2)11-16-6-17-21(11)5-7-3-4-8(23-7)9-18-10(22-19-9)12(13,14)15/h3-4,6H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine?
N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine has a molecular weight of 344.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 155074895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).