4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

C4H2N4O2 — CID 156653232

IUPAC4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESO=c1cnc2nonc2[nH]1
InChIInChI=1S/C4H2N4O2/c9-2-1-5-3-4(6-2)8-10-7-3/h1H,(H,6,8,9)
InChIKeyOSQXJHURCFRYBB-UHFFFAOYSA-N
MW138.09 g/mol
LogP-0.69
Rot. Bonds

About 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 156653232) has the molecular formula C4H2N4O2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID156653232
Molecular FormulaC4H2N4O2
Molecular Weight138.09 g/mol
Exact Mass138.02
IUPAC Name4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESO=c1cnc2nonc2[nH]1
InChIInChI=1S/C4H2N4O2/c9-2-1-5-3-4(6-2)8-10-7-3/h1H,(H,6,8,9)
InChIKeyOSQXJHURCFRYBB-UHFFFAOYSA-N
XLogP-0.69
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 156653232) is 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is O=c1cnc2nonc2[nH]1.
What is the InChIKey of 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is OSQXJHURCFRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O2/c9-2-1-5-3-4(6-2)8-10-7-3/h1H,(H,6,8,9).
What are the key properties of 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 138.09 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 156653232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).