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

C17H9F6N7OS — CID 153337893

IUPACN-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1cnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)cn1
InChIInChI=1S/C17H9F6N7OS/c18-16(19,20)11-5-27-13(7-26-11)30(12-6-24-3-4-25-12)8-9-1-2-10(32-9)14-28-15(31-29-14)17(21,22)23/h1-7H,8H2
InChIKeyPSCDBUXURSWFMN-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.75
Rot. Bonds5

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

N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (PubChem CID 153337893) has the molecular formula C17H9F6N7OS and a molecular weight of 473.36 g/mol. Its IUPAC name is N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
PubChem CID153337893
Molecular FormulaC17H9F6N7OS
Molecular Weight473.36 g/mol
Exact Mass473.05
IUPAC NameN-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1cnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)cn1
InChIInChI=1S/C17H9F6N7OS/c18-16(19,20)11-5-27-13(7-26-11)30(12-6-24-3-4-25-12)8-9-1-2-10(32-9)14-28-15(31-29-14)17(21,22)23/h1-7H,8H2
InChIKeyPSCDBUXURSWFMN-UHFFFAOYSA-N
XLogP4.75
TPSA93.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (CID 153337893) is N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is FC(F)(F)c1cnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)cn1.
What is the InChIKey of N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The InChIKey is PSCDBUXURSWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N7OS/c18-16(19,20)11-5-27-13(7-26-11)30(12-6-24-3-4-25-12)8-9-1-2-10(32-9)14-28-15(31-29-14)17(21,22)23/h1-7H,8H2.
What are the key properties of N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine has a molecular weight of 473.36 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 153337893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).