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

C7H6N2O2 — CID 88977045

IUPAC7-methylidene-[1,4]dioxino[2,3-c]pyridazine
SMILESC=C1COc2ccnnc2O1
InChIInChI=1S/C7H6N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3H,1,4H2
InChIKeyQDCJRAHTVWVOIF-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.76
Rot. Bonds

About 7-methylidene-[1,4]dioxino[2,3-c]pyridazine

7-methylidene-[1,4]dioxino[2,3-c]pyridazine (PubChem CID 88977045) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-methylidene-[1,4]dioxino[2,3-c]pyridazine.

Molecular Properties

Compound Name7-methylidene-[1,4]dioxino[2,3-c]pyridazine
PubChem CID88977045
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name7-methylidene-[1,4]dioxino[2,3-c]pyridazine
SMILESC=C1COc2ccnnc2O1
InChIInChI=1S/C7H6N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3H,1,4H2
InChIKeyQDCJRAHTVWVOIF-UHFFFAOYSA-N
XLogP0.76
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-[1,4]dioxino[2,3-c]pyridazine?
The IUPAC name of 7-methylidene-[1,4]dioxino[2,3-c]pyridazine (CID 88977045) is 7-methylidene-[1,4]dioxino[2,3-c]pyridazine.
What is the SMILES notation for 7-methylidene-[1,4]dioxino[2,3-c]pyridazine?
The canonical SMILES for 7-methylidene-[1,4]dioxino[2,3-c]pyridazine is C=C1COc2ccnnc2O1.
What is the InChIKey of 7-methylidene-[1,4]dioxino[2,3-c]pyridazine?
The InChIKey is QDCJRAHTVWVOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3H,1,4H2.
What are the key properties of 7-methylidene-[1,4]dioxino[2,3-c]pyridazine?
7-methylidene-[1,4]dioxino[2,3-c]pyridazine has a molecular weight of 150.14 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-[1,4]dioxino[2,3-c]pyridazine is sourced from PubChem (CID 88977045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).