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

C8H4N4O — CID 598966

IUPAC[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1cc2c(ccc3nonc32)nn1
InChIInChI=1S/C8H4N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h1-4H
InChIKeyROYWDHJBGXPIPF-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.17
Rot. Bonds

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

[1,2,5]oxadiazolo[3,4-f]cinnoline (PubChem CID 598966) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is [1,2,5]oxadiazolo[3,4-f]cinnoline.

Molecular Properties

Compound Name[1,2,5]oxadiazolo[3,4-f]cinnoline
PubChem CID598966
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1cc2c(ccc3nonc32)nn1
InChIInChI=1S/C8H4N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h1-4H
InChIKeyROYWDHJBGXPIPF-UHFFFAOYSA-N
XLogP1.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1,2,5]oxadiazolo[3,4-f]cinnoline with MolForge

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Related Compounds

2,7-Dinitroindazole
CID 330841
9-Methyl[1,2,5]oxadiazolo[3,4-f]cinnoline 3-oxide
CID 6401665
8-Methyl[1,2,5]oxadiazolo[4,3-F]cinnolin-3-ium-3-olate
CID 2736920
8-Phenyl[1,2,5]oxadiazolo[3,4-f]cinnoline
CID 2837747
8-Phenyl[1,2,5]oxadiazolo[3,4-f]cinnoline 3-oxide
CID 6401684
3-Oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
CID 548516
4,5-Dihydro(1,2,5)oxadiazolo(3,4-f)cinnoline
CID 599957
[1,2,5]Oxadiazolo[3,4-f]cinnoline 3-oxide
CID 919150
9-Methyl[1,2,5]oxadiazolo[3,4-f]cinnoline
CID 2736919
Tocris-0800
CID 4311692
8-Methyl[1,2,5]oxadiazolo[3,4-f]cinnoline
CID 2736918
8-Nitrocinnoline
CID 12669299

Frequently Asked Questions

What is the IUPAC name of [1,2,5]oxadiazolo[3,4-f]cinnoline?
The IUPAC name of [1,2,5]oxadiazolo[3,4-f]cinnoline (CID 598966) is [1,2,5]oxadiazolo[3,4-f]cinnoline.
What is the SMILES notation for [1,2,5]oxadiazolo[3,4-f]cinnoline?
The canonical SMILES for [1,2,5]oxadiazolo[3,4-f]cinnoline is c1cc2c(ccc3nonc32)nn1.
What is the InChIKey of [1,2,5]oxadiazolo[3,4-f]cinnoline?
The InChIKey is ROYWDHJBGXPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c1-2-7-8(12-13-11-7)5-3-4-9-10-6(1)5/h1-4H.
What are the key properties of [1,2,5]oxadiazolo[3,4-f]cinnoline?
[1,2,5]oxadiazolo[3,4-f]cinnoline has a molecular weight of 172.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]oxadiazolo[3,4-f]cinnoline is sourced from PubChem (CID 598966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).