5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine

C7H6BrN5O — CID 86662079

IUPAC5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
SMILESCc1nc(-c2nc(Br)cnc2N)no1
InChIInChI=1S/C7H6BrN5O/c1-3-11-7(13-14-3)5-6(9)10-2-4(8)12-5/h2H,1H3,(H2,9,10)
InChIKeyDKOJKCXNHOFRTB-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.18
Rot. Bonds1

About 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine

5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine (PubChem CID 86662079) has the molecular formula C7H6BrN5O and a molecular weight of 256.06 g/mol. Its IUPAC name is 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
PubChem CID86662079
Molecular FormulaC7H6BrN5O
Molecular Weight256.06 g/mol
Exact Mass254.98
IUPAC Name5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
SMILESCc1nc(-c2nc(Br)cnc2N)no1
InChIInChI=1S/C7H6BrN5O/c1-3-11-7(13-14-3)5-6(9)10-2-4(8)12-5/h2H,1H3,(H2,9,10)
InChIKeyDKOJKCXNHOFRTB-UHFFFAOYSA-N
XLogP1.18
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine (CID 86662079) is 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine is Cc1nc(-c2nc(Br)cnc2N)no1.
What is the InChIKey of 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
The InChIKey is DKOJKCXNHOFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5O/c1-3-11-7(13-14-3)5-6(9)10-2-4(8)12-5/h2H,1H3,(H2,9,10).
What are the key properties of 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine?
5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine has a molecular weight of 256.06 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 86662079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).