N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine

C9H12F2N4 — CID 176652808

IUPACN-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine
SMILESFC1(F)CNCC(Nc2cccnn2)C1
InChIInChI=1S/C9H12F2N4/c10-9(11)4-7(5-12-6-9)14-8-2-1-3-13-15-8/h1-3,7,12H,4-6H2,(H,14,15)
InChIKeyUEJZBBPBDUTXOB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.89
Rot. Bonds2

About N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine

N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine (PubChem CID 176652808) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine
PubChem CID176652808
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC NameN-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine
SMILESFC1(F)CNCC(Nc2cccnn2)C1
InChIInChI=1S/C9H12F2N4/c10-9(11)4-7(5-12-6-9)14-8-2-1-3-13-15-8/h1-3,7,12H,4-6H2,(H,14,15)
InChIKeyUEJZBBPBDUTXOB-UHFFFAOYSA-N
XLogP0.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine?
The IUPAC name of N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine (CID 176652808) is N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine?
The canonical SMILES for N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine is FC1(F)CNCC(Nc2cccnn2)C1.
What is the InChIKey of N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine?
The InChIKey is UEJZBBPBDUTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/c10-9(11)4-7(5-12-6-9)14-8-2-1-3-13-15-8/h1-3,7,12H,4-6H2,(H,14,15).
What are the key properties of N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine?
N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine has a molecular weight of 214.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine is sourced from PubChem (CID 176652808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).