N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine

C10H14F2N4 — CID 134542860

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine
SMILESFC1(F)CNCCC1CNc1cccnn1
InChIInChI=1S/C10H14F2N4/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9/h1-2,4,8,13H,3,5-7H2,(H,14,16)
InChIKeyFDPYGPZWCRZESV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.13
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine

N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine (PubChem CID 134542860) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine
PubChem CID134542860
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine
SMILESFC1(F)CNCCC1CNc1cccnn1
InChIInChI=1S/C10H14F2N4/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9/h1-2,4,8,13H,3,5-7H2,(H,14,16)
InChIKeyFDPYGPZWCRZESV-UHFFFAOYSA-N
XLogP1.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine (CID 134542860) is N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine is FC1(F)CNCCC1CNc1cccnn1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine?
The InChIKey is FDPYGPZWCRZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9/h1-2,4,8,13H,3,5-7H2,(H,14,16).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine?
N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine has a molecular weight of 228.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 134542860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).