3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine

C14H9BrF3N5O — CID 71515635

IUPAC3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C14H9BrF3N5O/c15-11-10(14(16,17)18)21-12(19)9(20-11)13-23-22-8(24-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,19,21)
InChIKeyBGYUULQTVSRSJN-UHFFFAOYSA-N
MW400.16 g/mol
LogP3.48
Rot. Bonds3

About 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine

3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 71515635) has the molecular formula C14H9BrF3N5O and a molecular weight of 400.16 g/mol. Its IUPAC name is 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine
PubChem CID71515635
Molecular FormulaC14H9BrF3N5O
Molecular Weight400.16 g/mol
Exact Mass398.99
IUPAC Name3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1nc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C14H9BrF3N5O/c15-11-10(14(16,17)18)21-12(19)9(20-11)13-23-22-8(24-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,19,21)
InChIKeyBGYUULQTVSRSJN-UHFFFAOYSA-N
XLogP3.48
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine (CID 71515635) is 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine is Nc1nc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BGYUULQTVSRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N5O/c15-11-10(14(16,17)18)21-12(19)9(20-11)13-23-22-8(24-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,19,21).
What are the key properties of 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine?
3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 400.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 71515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).