9-methyl-[1]benzofuro[2,3-d]pyridazine

C11H8N2O — CID 12583428

IUPAC9-methyl-[1]benzofuro[2,3-d]pyridazine
SMILESCc1cccc2oc3cnncc3c12
InChIInChI=1S/C11H8N2O/c1-7-3-2-4-9-11(7)8-5-12-13-6-10(8)14-9/h2-6H,1H3
InChIKeyLJPMKLUMEVFUCH-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.68
Rot. Bonds

About 9-methyl-[1]benzofuro[2,3-d]pyridazine

9-methyl-[1]benzofuro[2,3-d]pyridazine (PubChem CID 12583428) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 9-methyl-[1]benzofuro[2,3-d]pyridazine.

Molecular Properties

Compound Name9-methyl-[1]benzofuro[2,3-d]pyridazine
PubChem CID12583428
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name9-methyl-[1]benzofuro[2,3-d]pyridazine
SMILESCc1cccc2oc3cnncc3c12
InChIInChI=1S/C11H8N2O/c1-7-3-2-4-9-11(7)8-5-12-13-6-10(8)14-9/h2-6H,1H3
InChIKeyLJPMKLUMEVFUCH-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-[1]benzofuro[2,3-d]pyridazine?
The IUPAC name of 9-methyl-[1]benzofuro[2,3-d]pyridazine (CID 12583428) is 9-methyl-[1]benzofuro[2,3-d]pyridazine.
What is the SMILES notation for 9-methyl-[1]benzofuro[2,3-d]pyridazine?
The canonical SMILES for 9-methyl-[1]benzofuro[2,3-d]pyridazine is Cc1cccc2oc3cnncc3c12.
What is the InChIKey of 9-methyl-[1]benzofuro[2,3-d]pyridazine?
The InChIKey is LJPMKLUMEVFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-3-2-4-9-11(7)8-5-12-13-6-10(8)14-9/h2-6H,1H3.
What are the key properties of 9-methyl-[1]benzofuro[2,3-d]pyridazine?
9-methyl-[1]benzofuro[2,3-d]pyridazine has a molecular weight of 184.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-[1]benzofuro[2,3-d]pyridazine is sourced from PubChem (CID 12583428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).