cycloocta[c]pyridazine

C10H8N2 — CID 71358921

IUPACcycloocta[c]pyridazine
SMILESC1=CC=c2ccnnc2=CC=C1
InChIInChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H
InChIKeyLVXISFZEKNJQEN-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.16
Rot. Bonds

About cycloocta[c]pyridazine

cycloocta[c]pyridazine (PubChem CID 71358921) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is cycloocta[c]pyridazine.

Molecular Properties

Compound Namecycloocta[c]pyridazine
PubChem CID71358921
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Namecycloocta[c]pyridazine
SMILESC1=CC=c2ccnnc2=CC=C1
InChIInChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H
InChIKeyLVXISFZEKNJQEN-UHFFFAOYSA-N
XLogP0.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloocta[c]pyridazine?
The IUPAC name of cycloocta[c]pyridazine (CID 71358921) is cycloocta[c]pyridazine.
What is the SMILES notation for cycloocta[c]pyridazine?
The canonical SMILES for cycloocta[c]pyridazine is C1=CC=c2ccnnc2=CC=C1.
What is the InChIKey of cycloocta[c]pyridazine?
The InChIKey is LVXISFZEKNJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H.
What are the key properties of cycloocta[c]pyridazine?
cycloocta[c]pyridazine has a molecular weight of 156.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta[c]pyridazine is sourced from PubChem (CID 71358921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).