6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H9F3N6O — CID 142482639

IUPAC6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)c(F)c1
InChIInChI=1S/C16H9F3N6O/c17-8-5-6-12(10(19)7-8)21-14-13(20-11-4-2-1-3-9(11)18)22-15-16(23-14)25-26-24-15/h1-7H,(H,20,22,24)(H,21,23,25)
InChIKeyWPGUEKBOWLUBPZ-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.92
Rot. Bonds4

About 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482639) has the molecular formula C16H9F3N6O and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482639
Molecular FormulaC16H9F3N6O
Molecular Weight358.28 g/mol
Exact Mass358.08
IUPAC Name6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)c(F)c1
InChIInChI=1S/C16H9F3N6O/c17-8-5-6-12(10(19)7-8)21-14-13(20-11-4-2-1-3-9(11)18)22-15-16(23-14)25-26-24-15/h1-7H,(H,20,22,24)(H,21,23,25)
InChIKeyWPGUEKBOWLUBPZ-UHFFFAOYSA-N
XLogP3.92
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482639) is 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)c(F)c1.
What is the InChIKey of 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is WPGUEKBOWLUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6O/c17-8-5-6-12(10(19)7-8)21-14-13(20-11-4-2-1-3-9(11)18)22-15-16(23-14)25-26-24-15/h1-7H,(H,20,22,24)(H,21,23,25).
What are the key properties of 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 358.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).