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

C12H20F2N4 — CID 142359893

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane
SMILESCC.FC1(F)CNCCC1CNc1cccnn1
InChIInChI=1S/C10H14F2N4.C2H6/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9;1-2/h1-2,4,8,13H,3,5-7H2,(H,14,16);1-2H3
InChIKeyKXRABHYWYMWKPB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds3

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

N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane (PubChem CID 142359893) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane
PubChem CID142359893
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane
SMILESCC.FC1(F)CNCCC1CNc1cccnn1
InChIInChI=1S/C10H14F2N4.C2H6/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9;1-2/h1-2,4,8,13H,3,5-7H2,(H,14,16);1-2H3
InChIKeyKXRABHYWYMWKPB-UHFFFAOYSA-N
XLogP2.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
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;ethane?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane (CID 142359893) is N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane is CC.FC1(F)CNCCC1CNc1cccnn1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane?
The InChIKey is KXRABHYWYMWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4.C2H6/c11-10(12)7-13-5-3-8(10)6-14-9-2-1-4-15-16-9;1-2/h1-2,4,8,13H,3,5-7H2,(H,14,16);1-2H3.
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane?
N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane has a molecular weight of 258.32 g/mol, XLogP of 2.16, 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;ethane is sourced from PubChem (CID 142359893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).