4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline

C8H6N4O — CID 599957

IUPAC4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1cc2c(nn1)CCc1nonc1-2
InChIInChI=1S/C8H6N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h3-4H,1-2H2
InChIKeyLLFFDBWQFZHNAX-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.63
Rot. Bonds

About 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline

4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (PubChem CID 599957) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.

Molecular Properties

Compound Name4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
PubChem CID599957
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1cc2c(nn1)CCc1nonc1-2
InChIInChI=1S/C8H6N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h3-4H,1-2H2
InChIKeyLLFFDBWQFZHNAX-UHFFFAOYSA-N
XLogP0.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The IUPAC name of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (CID 599957) is 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.
What is the SMILES notation for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The canonical SMILES for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is c1cc2c(nn1)CCc1nonc1-2.
What is the InChIKey of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The InChIKey is LLFFDBWQFZHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h3-4H,1-2H2.
What are the key properties of 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline has a molecular weight of 174.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is sourced from PubChem (CID 599957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).