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

C16H11FN6O — CID 555907

IUPAC5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C16H11FN6O/c17-11-8-4-5-9-12(11)19-14-13(18-10-6-2-1-3-7-10)20-15-16(21-14)23-24-22-15/h1-9H,(H,18,20,22)(H,19,21,23)
InChIKeyGDEQIHSBCCMEHU-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.64
Rot. Bonds4

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

5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 555907) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID555907
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C16H11FN6O/c17-11-8-4-5-9-12(11)19-14-13(18-10-6-2-1-3-7-10)20-15-16(21-14)23-24-22-15/h1-9H,(H,18,20,22)(H,19,21,23)
InChIKeyGDEQIHSBCCMEHU-UHFFFAOYSA-N
XLogP3.64
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.64
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-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 555907) is 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is GDEQIHSBCCMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-11-8-4-5-9-12(11)19-14-13(18-10-6-2-1-3-7-10)20-15-16(21-14)23-24-22-15/h1-9H,(H,18,20,22)(H,19,21,23).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 322.30 g/mol, XLogP of 3.64, 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-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 555907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).