6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one

C16H12F2N4O2 — CID 146940554

IUPAC6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cccnc1
InChIInChI=1S/C16H12F2N4O2/c17-16(18)24-14-5-3-12(9-20-14)13-4-6-15(23)22(21-13)10-11-2-1-7-19-8-11/h1-9,16H,10H2
InChIKeyAGUALZZOGMHPMK-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.35
Rot. Bonds5

About 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one

6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one (PubChem CID 146940554) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one
PubChem CID146940554
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cccnc1
InChIInChI=1S/C16H12F2N4O2/c17-16(18)24-14-5-3-12(9-20-14)13-4-6-15(23)22(21-13)10-11-2-1-7-19-8-11/h1-9,16H,10H2
InChIKeyAGUALZZOGMHPMK-UHFFFAOYSA-N
XLogP2.35
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one (CID 146940554) is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccc(OC(F)F)nc2)nn1Cc1cccnc1.
What is the InChIKey of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one?
The InChIKey is AGUALZZOGMHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-16(18)24-14-5-3-12(9-20-14)13-4-6-15(23)22(21-13)10-11-2-1-7-19-8-11/h1-9,16H,10H2.
What are the key properties of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one?
6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one has a molecular weight of 330.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-(pyridin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 146940554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).