[1,4]dioxino[2,3-c]pyridazine

C6H4N2O2 — CID 66624407

IUPAC[1,4]dioxino[2,3-c]pyridazine
SMILESC1=COc2nnccc2O1
InChIInChI=1S/C6H4N2O2/c1-2-7-8-6-5(1)9-3-4-10-6/h1-4H
InChIKeyJQTQOMCOCLBKTG-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.72
Rot. Bonds

About [1,4]dioxino[2,3-c]pyridazine

[1,4]dioxino[2,3-c]pyridazine (PubChem CID 66624407) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is [1,4]dioxino[2,3-c]pyridazine.

Molecular Properties

Compound Name[1,4]dioxino[2,3-c]pyridazine
PubChem CID66624407
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name[1,4]dioxino[2,3-c]pyridazine
SMILESC1=COc2nnccc2O1
InChIInChI=1S/C6H4N2O2/c1-2-7-8-6-5(1)9-3-4-10-6/h1-4H
InChIKeyJQTQOMCOCLBKTG-UHFFFAOYSA-N
XLogP0.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,4]dioxino[2,3-c]pyridazine?
The IUPAC name of [1,4]dioxino[2,3-c]pyridazine (CID 66624407) is [1,4]dioxino[2,3-c]pyridazine.
What is the SMILES notation for [1,4]dioxino[2,3-c]pyridazine?
The canonical SMILES for [1,4]dioxino[2,3-c]pyridazine is C1=COc2nnccc2O1.
What is the InChIKey of [1,4]dioxino[2,3-c]pyridazine?
The InChIKey is JQTQOMCOCLBKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c1-2-7-8-6-5(1)9-3-4-10-6/h1-4H.
What are the key properties of [1,4]dioxino[2,3-c]pyridazine?
[1,4]dioxino[2,3-c]pyridazine has a molecular weight of 136.11 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]dioxino[2,3-c]pyridazine is sourced from PubChem (CID 66624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).