4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole

C6H4N4O2 — CID 596237

IUPAC4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole
SMILESC1Cc2nonc2-c2nonc21
InChIInChI=1S/C6H4N4O2/c1-2-4-6(10-12-8-4)5-3(1)7-11-9-5/h1-2H2
InChIKeyCFIWXXSBFDQGGW-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.22
Rot. Bonds

About 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole

4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole (PubChem CID 596237) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole.

Molecular Properties

Compound Name4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole
PubChem CID596237
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole
SMILESC1Cc2nonc2-c2nonc21
InChIInChI=1S/C6H4N4O2/c1-2-4-6(10-12-8-4)5-3(1)7-11-9-5/h1-2H2
InChIKeyCFIWXXSBFDQGGW-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole?
The IUPAC name of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole (CID 596237) is 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole.
What is the SMILES notation for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole?
The canonical SMILES for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole is C1Cc2nonc2-c2nonc21.
What is the InChIKey of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole?
The InChIKey is CFIWXXSBFDQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c1-2-4-6(10-12-8-4)5-3(1)7-11-9-5/h1-2H2.
What are the key properties of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole?
4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole has a molecular weight of 164.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole is sourced from PubChem (CID 596237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).