5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine

C20H16N2O — CID 10851778

IUPAC5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
SMILESCOc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C20H16N2O/c1-23-20-17-13-8-14-21-22(17)19(16-11-6-3-7-12-16)18(20)15-9-4-2-5-10-15/h2-14H,1H3
InChIKeyKDMQHHKYCGUPJN-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.68
Rot. Bonds3

About 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine

5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine (PubChem CID 10851778) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
PubChem CID10851778
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
SMILESCOc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C20H16N2O/c1-23-20-17-13-8-14-21-22(17)19(16-11-6-3-7-12-16)18(20)15-9-4-2-5-10-15/h2-14H,1H3
InChIKeyKDMQHHKYCGUPJN-UHFFFAOYSA-N
XLogP4.68
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine (CID 10851778) is 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine is COc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12.
What is the InChIKey of 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
The InChIKey is KDMQHHKYCGUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-20-17-13-8-14-21-22(17)19(16-11-6-3-7-12-16)18(20)15-9-4-2-5-10-15/h2-14H,1H3.
What are the key properties of 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine?
5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine has a molecular weight of 300.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 10851778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).