6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine

C8H9ClF2N4 — CID 146553705

IUPAC6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine
SMILESCNc1cc(N2CC(F)(F)C2)c(Cl)nn1
InChIInChI=1S/C8H9ClF2N4/c1-12-6-2-5(7(9)14-13-6)15-3-8(10,11)4-15/h2H,3-4H2,1H3,(H,12,13)
InChIKeySPXOWZZZOQDFKF-UHFFFAOYSA-N
MW234.64 g/mol
LogP1.63
Rot. Bonds2

About 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine

6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine (PubChem CID 146553705) has the molecular formula C8H9ClF2N4 and a molecular weight of 234.64 g/mol. Its IUPAC name is 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine
PubChem CID146553705
Molecular FormulaC8H9ClF2N4
Molecular Weight234.64 g/mol
Exact Mass234.05
IUPAC Name6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine
SMILESCNc1cc(N2CC(F)(F)C2)c(Cl)nn1
InChIInChI=1S/C8H9ClF2N4/c1-12-6-2-5(7(9)14-13-6)15-3-8(10,11)4-15/h2H,3-4H2,1H3,(H,12,13)
InChIKeySPXOWZZZOQDFKF-UHFFFAOYSA-N
XLogP1.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine (CID 146553705) is 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine is CNc1cc(N2CC(F)(F)C2)c(Cl)nn1.
What is the InChIKey of 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine?
The InChIKey is SPXOWZZZOQDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N4/c1-12-6-2-5(7(9)14-13-6)15-3-8(10,11)4-15/h2H,3-4H2,1H3,(H,12,13).
What are the key properties of 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine?
6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine has a molecular weight of 234.64 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3,3-difluoroazetidin-1-yl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 146553705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).