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

C17H13FN6O — CID 702322

IUPAC5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H13FN6O/c1-10-6-8-11(9-7-10)19-14-15(20-13-5-3-2-4-12(13)18)22-17-16(21-14)23-25-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24)
InChIKeyGXUILZAIOJGMSI-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.95
Rot. Bonds4

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

5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 702322) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID702322
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H13FN6O/c1-10-6-8-11(9-7-10)19-14-15(20-13-5-3-2-4-12(13)18)22-17-16(21-14)23-25-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24)
InChIKeyGXUILZAIOJGMSI-UHFFFAOYSA-N
XLogP3.95
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.95
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-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 702322) is 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)cc1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is GXUILZAIOJGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-10-6-8-11(9-7-10)19-14-15(20-13-5-3-2-4-12(13)18)22-17-16(21-14)23-25-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 336.33 g/mol, XLogP of 3.95, 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-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 702322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).