(4aZ,10E)-cycloocta[c]pyridazine

C10H8N2 — CID 173092425

IUPAC(4aZ,10E)-cycloocta[c]pyridazine
SMILESC1=C/C=c2/ccnn/c2=C/C=C1
InChIInChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H/b2-1?,3-1?,4-2?,5-3?,6-4?,9-5-,10-6+
InChIKeyLVXISFZEKNJQEN-GNJJXSEISA-N
MW156.19 g/mol
LogP0.16
Rot. Bonds

About (4aZ,10E)-cycloocta[c]pyridazine

(4aZ,10E)-cycloocta[c]pyridazine (PubChem CID 173092425) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (4aZ,10E)-cycloocta[c]pyridazine.

Molecular Properties

Compound Name(4aZ,10E)-cycloocta[c]pyridazine
PubChem CID173092425
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name(4aZ,10E)-cycloocta[c]pyridazine
SMILESC1=C/C=c2/ccnn/c2=C/C=C1
InChIInChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H/b2-1?,3-1?,4-2?,5-3?,6-4?,9-5-,10-6+
InChIKeyLVXISFZEKNJQEN-GNJJXSEISA-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 (4aZ,10E)-cycloocta[c]pyridazine?
The IUPAC name of (4aZ,10E)-cycloocta[c]pyridazine (CID 173092425) is (4aZ,10E)-cycloocta[c]pyridazine.
What is the SMILES notation for (4aZ,10E)-cycloocta[c]pyridazine?
The canonical SMILES for (4aZ,10E)-cycloocta[c]pyridazine is C1=C/C=c2/ccnn/c2=C/C=C1.
What is the InChIKey of (4aZ,10E)-cycloocta[c]pyridazine?
The InChIKey is LVXISFZEKNJQEN-GNJJXSEISA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H/b2-1?,3-1?,4-2?,5-3?,6-4?,9-5-,10-6+.
What are the key properties of (4aZ,10E)-cycloocta[c]pyridazine?
(4aZ,10E)-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 (4aZ,10E)-cycloocta[c]pyridazine is sourced from PubChem (CID 173092425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).