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

C16H10F2N6O — CID 142482661

IUPAC5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C16H10F2N6O/c17-9-4-3-5-10(8-9)19-13-14(20-12-7-2-1-6-11(12)18)22-16-15(21-13)23-25-24-16/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyIJYORKSKPHUOSU-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.78
Rot. Bonds4

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

5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482661) has the molecular formula C16H10F2N6O and a molecular weight of 340.29 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482661
Molecular FormulaC16H10F2N6O
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C16H10F2N6O/c17-9-4-3-5-10(8-9)19-13-14(20-12-7-2-1-6-11(12)18)22-16-15(21-13)23-25-24-16/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyIJYORKSKPHUOSU-UHFFFAOYSA-N
XLogP3.78
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482661) is 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IJYORKSKPHUOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O/c17-9-4-3-5-10(8-9)19-13-14(20-12-7-2-1-6-11(12)18)22-16-15(21-13)23-25-24-16/h1-8H,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 340.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).