5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine

C6H6N4O3 — CID 2044723

IUPAC5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1nc2nonc2nc1OC
InChIInChI=1S/C6H6N4O3/c1-11-5-6(12-2)8-4-3(7-5)9-13-10-4/h1-2H3
InChIKeySOELHWFKYPQWOL-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.03
Rot. Bonds2

About 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine

5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 2044723) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID2044723
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1nc2nonc2nc1OC
InChIInChI=1S/C6H6N4O3/c1-11-5-6(12-2)8-4-3(7-5)9-13-10-4/h1-2H3
InChIKeySOELHWFKYPQWOL-UHFFFAOYSA-N
XLogP0.03
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 2044723) is 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is COc1nc2nonc2nc1OC.
What is the InChIKey of 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is SOELHWFKYPQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c1-11-5-6(12-2)8-4-3(7-5)9-13-10-4/h1-2H3.
What are the key properties of 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 182.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 2044723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).