5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H12N6O — CID 682335

IUPAC5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1
InChIInChI=1S/C16H12N6O/c1-3-7-11(8-4-1)17-13-14(18-12-9-5-2-6-10-12)20-16-15(19-13)21-23-22-16/h1-10H,(H,17,19,21)(H,18,20,22)
InChIKeyATZZYZAINHYDLD-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.50
Rot. Bonds4

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

5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 682335) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID682335
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1
InChIInChI=1S/C16H12N6O/c1-3-7-11(8-4-1)17-13-14(18-12-9-5-2-6-10-12)20-16-15(19-13)21-23-22-16/h1-10H,(H,17,19,21)(H,18,20,22)
InChIKeyATZZYZAINHYDLD-UHFFFAOYSA-N
XLogP3.50
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 682335) is 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is c1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1.
What is the InChIKey of 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ATZZYZAINHYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-3-7-11(8-4-1)17-13-14(18-12-9-5-2-6-10-12)20-16-15(19-13)21-23-22-16/h1-10H,(H,17,19,21)(H,18,20,22).
What are the key properties of 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 304.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 682335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).