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

C10H8N6O — CID 2844516

IUPAC5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C10H8N6O/c11-7-8(12-6-4-2-1-3-5-6)14-10-9(13-7)15-17-16-10/h1-5H,(H2,11,13,15)(H,12,14,16)
InChIKeyGKJJLDJOZRUEJY-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.34
Rot. Bonds2

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

5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 2844516) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID2844516
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESNc1nc2nonc2nc1Nc1ccccc1
InChIInChI=1S/C10H8N6O/c11-7-8(12-6-4-2-1-3-5-6)14-10-9(13-7)15-17-16-10/h1-5H,(H2,11,13,15)(H,12,14,16)
InChIKeyGKJJLDJOZRUEJY-UHFFFAOYSA-N
XLogP1.34
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 2844516) is 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Nc1nc2nonc2nc1Nc1ccccc1.
What is the InChIKey of 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is GKJJLDJOZRUEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-7-8(12-6-4-2-1-3-5-6)14-10-9(13-7)15-17-16-10/h1-5H,(H2,11,13,15)(H,12,14,16).
What are the key properties of 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 228.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 2844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).