6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one

C9H9F2N3O2 — CID 122269312

IUPAC6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(F)(F)C2)ccc1=O
InChIInChI=1S/C9H9F2N3O2/c1-13-7(15)3-2-6(12-13)8(16)14-4-9(10,11)5-14/h2-3H,4-5H2,1H3
InChIKeyXYAVTKYHIANEEE-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.13
Rot. Bonds1

About 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one

6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 122269312) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID122269312
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(F)(F)C2)ccc1=O
InChIInChI=1S/C9H9F2N3O2/c1-13-7(15)3-2-6(12-13)8(16)14-4-9(10,11)5-14/h2-3H,4-5H2,1H3
InChIKeyXYAVTKYHIANEEE-UHFFFAOYSA-N
XLogP-0.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one (CID 122269312) is 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CC(F)(F)C2)ccc1=O.
What is the InChIKey of 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is XYAVTKYHIANEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c1-13-7(15)3-2-6(12-13)8(16)14-4-9(10,11)5-14/h2-3H,4-5H2,1H3.
What are the key properties of 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 229.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 122269312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).