[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine

C9H12F2N4 — CID 146553720

IUPAC[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1N1CC(F)(F)C1
InChIInChI=1S/C9H12F2N4/c1-6-2-7(3-12)13-14-8(6)15-4-9(10,11)5-15/h2H,3-5,12H2,1H3
InChIKeyYWCYHWCVVNGBJP-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.70
Rot. Bonds2

About [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine

[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine (PubChem CID 146553720) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine
PubChem CID146553720
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine
SMILESCc1cc(CN)nnc1N1CC(F)(F)C1
InChIInChI=1S/C9H12F2N4/c1-6-2-7(3-12)13-14-8(6)15-4-9(10,11)5-15/h2H,3-5,12H2,1H3
InChIKeyYWCYHWCVVNGBJP-UHFFFAOYSA-N
XLogP0.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The IUPAC name of [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine (CID 146553720) is [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The canonical SMILES for [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine is Cc1cc(CN)nnc1N1CC(F)(F)C1.
What is the InChIKey of [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
The InChIKey is YWCYHWCVVNGBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/c1-6-2-7(3-12)13-14-8(6)15-4-9(10,11)5-15/h2H,3-5,12H2,1H3.
What are the key properties of [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine?
[6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine has a molecular weight of 214.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-difluoroazetidin-1-yl)-5-methylpyridazin-3-yl]methanamine is sourced from PubChem (CID 146553720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).