4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline

C12H12N4O — CID 652421

IUPAC4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline
SMILESC1CCc2c(nnc3c2-c2nonc2CC3)C1
InChIInChI=1S/C12H12N4O/c1-2-4-8-7(3-1)11-9(14-13-8)5-6-10-12(11)16-17-15-10/h1-6H2
InChIKeyGFLAUDVXUZPKKM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.50
Rot. Bonds

About 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline

4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline (PubChem CID 652421) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline.

Molecular Properties

Compound Name4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline
PubChem CID652421
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline
SMILESC1CCc2c(nnc3c2-c2nonc2CC3)C1
InChIInChI=1S/C12H12N4O/c1-2-4-8-7(3-1)11-9(14-13-8)5-6-10-12(11)16-17-15-10/h1-6H2
InChIKeyGFLAUDVXUZPKKM-UHFFFAOYSA-N
XLogP1.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline?
The IUPAC name of 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline (CID 652421) is 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline.
What is the SMILES notation for 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline?
The canonical SMILES for 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline is C1CCc2c(nnc3c2-c2nonc2CC3)C1.
What is the InChIKey of 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline?
The InChIKey is GFLAUDVXUZPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-4-8-7(3-1)11-9(14-13-8)5-6-10-12(11)16-17-15-10/h1-6H2.
What are the key properties of 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline?
4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline has a molecular weight of 228.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8,9,10,11-hexahydro-[2,1,3]benzoxadiazolo[6,7-c]cinnoline is sourced from PubChem (CID 652421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).